[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-methoxynaphthalene-1-carboxylate CAS Name: 4-methoxy-1-naphthalenecarboxylic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate Traditional Name: 4-methoxynaphthalene-1-carboxylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C3=CC=CC=C32)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C3=CC=CC=C32)OC

InChI

InChI=1S/C21H18N2O6/c1-13-7-8-14(23(26)27)11-18(13)22-20(24)12-29-21(25)17-9-10-19(28-2)16-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3,(H,22,24)