4,5-dimethoxy-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[2-(m-tolylmethyl)pyrazol-3-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-[(3-methylphenyl)methyl]-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[2-(3-methylbenzyl)pyrazol-3-yl]-2-nitro-benzamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H20N4O5/c1-13-5-4-6-14(9-13)12-23-19(7-8-21-23)22-20(25)15-10-17(28-2)18(29-3)11-16(15)24(26)27/h4-11H,12H2,1-3H3,(H,22,25)