Basic information
- CAS
332018-10-7- Standard SMILES
O=CC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)C12- InChIKey
NDQQSCCFGCDACC-UHFFFAOYSA-N- Molecular formula
- C25H15BrN2O5
- Average molar mass
- 503.3 g/mol
Names & identifiers
- Preferred name
- 17-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name)
- IUPAC
- 17-(4-bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
- English name
- 17-{4-bromo-2-[hydroxy(oxido)amino]phenyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
- Molecular formula
- C25H15BrN2O5
- Molecular weight
- 503.301
Names & synonyms
332018-10-717-(4-bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name)13-(4-bromo-2-nitrophenyl)-12,14-dioxo-10,11,12,13,14,15-hexahydro-9H-9,10-[3,4]epipyrroloanthracene-9-carbaldehydeSTK264430AKOS000367445AKOS02206149517-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehydeST50338019AG-690/1213403417-(4-bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0 <15,19>]nonadeca-2(7),3,5,9(14),10,12-hexaenecarbaldehyde17-{4-bromo-2-[hydroxy(oxido)amino]phenyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Database identifiers
- CAS
332018-10-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 865
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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