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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3/c1-13-4-2-3-5-14(13)11-22-12-15(10-18-22)19-17(24)7-9-21-8-6-16(20-21)23(25)26/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,24)