[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxynaphthalene-2-carboxylate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxynaphthalene-2-carboxylate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 3-methoxynaphthalene-2-carboxylate CAS Name: 3-methoxy-2-naphthalenecarboxylic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate Traditional Name: 3-methoxynaphthalene-2-carboxylic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2OC)C

InChI

InChI=1S/C22H20N2O6/c1-13-8-9-18(24(27)28)21(14(13)2)23-20(25)12-30-22(26)17-10-15-6-4-5-7-16(15)11-19(17)29-3/h4-11H,12H2,1-3H3,(H,23,25)