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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

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