[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C19H19ClN2O7 MolecularWeight: 422.81636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O7/c1-10-5-11(2)18(13(20)6-10)21-17(23)9-29-19(24)12-7-15(27-3)16(28-4)8-14(12)22(25)26/h5-8H,9H2,1-4H3,(H,21,23)