N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-(m-tolylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(3-methylphenyl)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(3-methylbenzyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propionamide Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3/c1-12-4-3-5-14(6-12)9-21-10-15(7-18-21)20-17(24)13(2)22-11-16(8-19-22)23(25)26/h3-8,10-11,13H,9H2,1-2H3,(H,20,24)