[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H18ClN3O5 MolecularWeight: 487.89122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H18ClN3O5/c27-21-16-20(30(33)34)13-14-23(21)29-26(32)25(18-7-2-1-3-8-18)35-24(31)15-12-19-11-10-17-6-4-5-9-22(17)28-19/h1-16,25H,(H,29,32)/b15-12+