Basic information
- CAS
108098-01-7- Standard SMILES
O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1C(=O)O- InChIKey
AMOWDUZCWBKVSH-UHFFFAOYSA-N- Molecular formula
- C17H11N5O7
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 397.06584771
Names & identifiers
- Preferred name
- Benzoic acid, 2-((((1,2-dihydro-5-nitro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)-
- IUPAC
- 2-[[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
- English name
- 2-[[[(5-nitro-2-oxo-indol-3-yl)amino]carbamoylformyl]amino]benzoic acid
- Molecular formula
- C17H11N5O7
- Molecular weight
- 0
Names & synonyms
108098-01-7Benzoic acid, 2-((((1,2-dihydro-5-nitro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)-BRN 56604942-((((1,2-Dihydro-5-nitro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)benzoic acidDTXSID501483852-[[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid2-{2-[2-(5-Nitro-2-oxo-2H-indol-3-yl)hydrazin-1-yl]-2-oxoacetamido}benzoic acidReaxys ID: 56604942-[[[(5-nitro-2-oxo-indol-3-yl)amino]carbamoylformyl]amino]benzoic acid
Database identifiers
- CAS
108098-01-7- PubChem CID
- 60210
- DTXSID
DTXSID50148385
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 709
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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