(E)-4-[2-(3-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
Basic information
- CAS
5279-74-3- Standard SMILES
O=C(O)/C=C/C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
ARTIKKXLRLEVCJ-SNAWJCMRSA-N- Molecular formula
- C11H9N3O6
- Average molar mass
- 279.21 g/mol
- Monoisotopic mass
- 279.04913502
Names & identifiers
- Preferred name
- (E)-4-[2-(3-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
- IUPAC
- (E)-4-[2-(3-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
Names & synonyms
5279-74-3ZINC25667244-[2-(3-nitrobenzoyl)hydrazino]-4-oxo-2-butenoic acidST509089622-butenedioic acid, mono[2-(3-nitrobenzoyl)hydrazide], (2E)-315248-27-2DTXSID10416274(E)-4-[2-(3-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoic acidALBB-036126MFCD00593138STK002947AKOS003236288
Show more names
ZINC000002566724H48988SR-01000203119SR-01000203119-1O=C(C=CC(=O)O)NNC(=O)c1cccc(c1)(N+)(=O)(O)(E)4(2(3NITROBENZOYL)HYDRAZINYL)4OXOBUT2ENOICACID(2E)-4-[2-(3-Nitrobenzoyl)hydrazin-1-yl]-4-oxobut-2-enoic acid(2E)3(N((3NITROPHENYL)CARBONYLAMINO)CARBAMOYL)PROP2ENOICACID
Database identifiers
- CAS
5279-74-3- PubChem CID
- 5331691
- DTXSID
DTXSID10416274
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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