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

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H17N3O5/c1-12-7-10-17(23(26)27)19(13(12)2)22-18(24)11-28-20(25)16-9-8-14-5-3-4-6-15(14)21-16/h3-10H,11H2,1-2H3,(H,22,24)