[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (Z)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C22H17FN2O5S MolecularWeight: 440.444183

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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=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)/C(=C/C2=CC=C(C=C2)F)/C3=CC=CS3

InChI

InChI=1S/C22H17FN2O5S/c1-14(21(26)24-17-4-2-5-18(13-17)25(28)29)30-22(27)19(20-6-3-11-31-20)12-15-7-9-16(23)10-8-15/h2-14H,1H3,(H,24,26)/b19-12+