3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]acrylic acid Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C=CC(=O)O)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C=CC(=O)O)CCC#N

InChI

InChI=1S/C15H12N4O4/c16-7-2-8-18-10-12(5-6-14(20)21)15(17-18)11-3-1-4-13(9-11)19(22)23/h1,3-6,9-10H,2,8H2,(H,20,21)