phenyl 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: phenyl 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: phenyl 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolyl]-2-propenoic acid phenyl ester IUPAC Name: phenyl 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]acrylic acid phenyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C21H16N4O4/c22-12-5-13-24-15-17(10-11-20(26)29-19-8-2-1-3-9-19)21(23-24)16-6-4-7-18(14-16)25(27)28/h1-4,6-11,14-15H,5,13H2