[(E)-(4-methylphenyl)methylideneamino] 1-methyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: [(E)-(4-methylphenyl)methylideneamino] 1-methyl-4-nitro-pyrazole-3-carboxylate Openeye Name: [(E)-p-tolylmethyleneamino] 1-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 1-methyl-4-nitro-3-pyrazolecarboxylic acid [(E)-(4-methylphenyl)methylideneamino] ester IUPAC Name: [(E)-(4-methylphenyl)methylideneamino] 1-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 1-methyl-4-nitro-pyrazole-3-carboxylic acid [(E)-(4-methylbenzylidene)amino] ester Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NOC(=O)C2=NN(C=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/OC(=O)C2=NN(C=C2[N+](=O)[O-])C

InChI

InChI=1S/C13H12N4O4/c1-9-3-5-10(6-4-9)7-14-21-13(18)12-11(17(19)20)8-16(2)15-12/h3-8H,1-2H3/b14-7+