2-[(E)-2-[1-(4-chlorophenyl)pyrazol-4-yl]ethenyl]-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-2-[1-(4-chlorophenyl)pyrazol-4-yl]ethenyl]-5-nitro-pyridine-3-carboxylic acid Openeye Name: 2-[(E)-2-[1-(4-chlorophenyl)pyrazol-4-yl]vinyl]-5-nitro-pyridine-3-carboxylic acid CAS Name: 2-[(E)-2-[1-(4-chlorophenyl)-4-pyrazolyl]ethenyl]-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 2-[(E)-2-[1-(4-chlorophenyl)pyrazol-4-yl]ethenyl]-5-nitropyridine-3-carboxylic acid Traditional Name: 2-[(E)-2-[1-(4-chlorophenyl)pyrazol-4-yl]vinyl]-5-nitro-nicotinic acid Formula: C17H11ClN4O4 MolecularWeight: 370.74664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C=N2)C=CC3=NC=C(C=C3C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C=N2)/C=C/C3=NC=C(C=C3C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN4O4/c18-12-2-4-13(5-3-12)21-10-11(8-20-21)1-6-16-15(17(23)24)7-14(9-19-16)22(25)26/h1-10H,(H,23,24)/b6-1+