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

Systemtic Name: 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O4/c22-17(23)10-9-14-12-20(15-6-2-1-3-7-15)19-18(14)13-5-4-8-16(11-13)21(24)25/h1-12H,(H,22,23)