4-chloranyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(m-tolylmethyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[(3-methylphenyl)methyl]-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3-methylbenzyl)pyrazol-3-yl]-3-nitro-benzamide Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O3/c1-12-3-2-4-13(9-12)11-22-17(7-8-20-22)21-18(24)14-5-6-15(19)16(10-14)23(25)26/h2-10H,11H2,1H3,(H,21,24)