[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C24H18N4O5S MolecularWeight: 474.48852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O5S/c29-22(25-18-6-4-9-20(14-18)28(31)32)16-33-23(30)12-11-17-15-27(19-7-2-1-3-8-19)26-24(17)21-10-5-13-34-21/h1-15H,16H2,(H,25,29)