[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C15H11Cl2N3O5 MolecularWeight: 384.17094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Cl2N3O5/c16-10-3-2-9(6-11(10)17)19-14(21)7-25-15(22)8-1-4-12(18)13(5-8)20(23)24/h1-6H,7,18H2,(H,19,21)