[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2,6-dichlorobenzoate CAS Name: 2,6-dichlorobenzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2,6-dichlorobenzoate Traditional Name: 2,6-dichlorobenzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C16H12Cl2N2O5 MolecularWeight: 383.18288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl2N2O5/c1-9-5-6-10(7-13(9)20(23)24)19-14(21)8-25-16(22)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H,19,21)