[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5/c1-14-17(7-4-8-19(14)24(27)28)23-20(25)13-29-21(26)12-11-16-10-9-15-5-2-3-6-18(15)22-16/h2-12H,13H2,1H3,(H,23,25)/b12-11+