(1,3-diphenylpyrazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4/c1-24-14-19(26(28)29)12-20(24)22(27)30-15-17-13-25(18-10-6-3-7-11-18)23-21(17)16-8-4-2-5-9-16/h2-14H,15H2,1H3