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

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C16H13ClN4O7 MolecularWeight: 408.75002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O7/c1-18-12-5-2-9(6-14(12)21(26)27)16(23)28-8-15(22)19-10-3-4-11(17)13(7-10)20(24)25/h2-7,18H,8H2,1H3,(H,19,22)