[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H17N3O5/c1-14(21(26)23-17-8-3-9-18(13-17)24(27)28)29-19(25)11-10-16-6-2-5-15-7-4-12-22-20(15)16/h2-14H,1H3,(H,23,26)/b11-10+