1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxylic acid Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)CCC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O5/c1-23-12-4-3-9(7-11(12)18(21)22)13-10(14(19)20)8-17(16-13)6-2-5-15/h3-4,7-8H,2,6H2,1H3,(H,19,20)