(3-nitrophenyl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (3-nitrophenyl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (3-nitrophenyl)methyl 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 (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 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 (3-nitrobenzyl) ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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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)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4S/c27-22(30-16-17-6-4-9-20(14-17)26(28)29)12-11-18-15-25(19-7-2-1-3-8-19)24-23(18)21-10-5-13-31-21/h1-15H,16H2