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

Systemtic Name: [(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [(1S)-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=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H17N3O5/c1-14(21(26)23-17-6-4-7-18(13-17)24(27)28)29-20(25)12-11-16-10-9-15-5-2-3-8-19(15)22-16/h2-14H,1H3,(H,23,26)/b12-11+/t14-/m0/s1