[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] (Z)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C28H21FN2O5S MolecularWeight: 516.540143

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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=CC=C(C=C3)F)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C(=C/C3=CC=C(C=C3)F)/C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C28H21FN2O5S/c1-18-9-14-23(24(16-18)31(34)35)30-27(32)26(20-6-3-2-4-7-20)36-28(33)22(25-8-5-15-37-25)17-19-10-12-21(29)13-11-19/h2-17,26H,1H3,(H,30,32)/b22-17+