2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 2-(3-methoxy-4-nitro-1-pyrazolyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 2-(3-methoxy-4-nitropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]propionamide Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O4/c1-11-5-4-6-13(7-11)8-22-10-18-17(21-22)19-15(25)12(2)23-9-14(24(26)27)16(20-23)28-3/h4-7,9-10,12H,8H2,1-3H3,(H,19,21,25)