[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-bis(chloranyl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H12Cl2N2O5 MolecularWeight: 383.18288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O5/c1-9(25-16(22)10-5-6-13(17)14(18)7-10)15(21)19-11-3-2-4-12(8-11)20(23)24/h2-9H,1H3,(H,19,21)