2-chloranyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-(m-tolylmethyl)pyrazol-3-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-[(3-methylphenyl)methyl]-3-pyrazolyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(3-methylbenzyl)pyrazol-3-yl]-5-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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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