[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC(=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC(=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O4/c1-12-8-13(2)21(19-12)15-6-4-14(5-7-15)11-26-18(23)17-9-16(22(24)25)10-20(17)3/h4-10H,11H2,1-3H3