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

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C26H20N4O5 MolecularWeight: 468.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O5/c1-17-11-13-22(23(15-17)30(33)34)29-26(32)25(18-7-3-2-4-8-18)35-24(31)14-12-19-16-27-20-9-5-6-10-21(20)28-19/h2-16,25H,1H3,(H,29,32)/b14-12+