N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[1-(o-tolylmethyl)pyrazol-3-yl]benzamide CAS Name: N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-3-yl]-3,5-dinitro-benzamide Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-12-4-2-3-5-13(12)11-21-7-6-17(20-21)19-18(24)14-8-15(22(25)26)10-16(9-14)23(27)28/h2-10H,11H2,1H3,(H,19,20,24)