[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3,5-dichloro-4-methoxy-benzoate CAS Name: 3,5-dichloro-4-methoxybenzoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate Traditional Name: 3,5-dichloro-4-methoxy-benzoic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C17H14Cl2N2O6 MolecularWeight: 413.20886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O6/c1-9-5-11(21(24)25)3-4-14(9)20-15(22)8-27-17(23)10-6-12(18)16(26-2)13(19)7-10/h3-7H,8H2,1-2H3,(H,20,22)