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

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] naphthalene-2-carboxylate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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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=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c1-13-7-10-18(23(26)27)20(14(13)2)22-19(24)12-28-21(25)17-9-8-15-5-3-4-6-16(15)11-17/h3-11H,12H2,1-2H3,(H,22,24)