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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-3-phenyl-2-thiophen-2-yl-prop-2-enoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (Z)-3-phenyl-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-phenyl-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-phenyl-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-phenyl-2-(2-thienyl)acrylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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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=CC=C2)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-15(21(25)23-17-9-5-10-18(14-17)24(27)28)29-22(26)19(20-11-6-12-30-20)13-16-7-3-2-4-8-16/h2-15H,1H3,(H,23,25)/b19-13+