[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C15H11ClN4O7 MolecularWeight: 394.72344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C15H11ClN4O7/c16-9-2-4-11(13(6-9)20(25)26)18-14(21)7-27-15(22)8-1-3-10(17)12(5-8)19(23)24/h1-6H,7,17H2,(H,18,21)