methylbenzene; N-methyl-N-[N-(2-methylphenyl)-C-phenyl-carbonimidoyl]-4-nitro-benzamide

Systemtic Name: methylbenzene; N-methyl-N-[N-(2-methylphenyl)-C-phenyl-carbonimidoyl]-4-nitro-benzamide Openeye Name: N-methyl-4-nitro-N-[N-(o-tolyl)-C-phenyl-carbonimidoyl]benzamide; toluene CAS Name: N-methyl-N-[(2-methylphenyl)imino-phenylmethyl]-4-nitrobenzamide; toluene IUPAC Name: N-methyl-N-[N-(2-methylphenyl)-C-phenylcarbonimidoyl]-4-nitrobenzamide; toluene Traditional Name: N-methyl-4-nitro-N-[N-(o-tolyl)-C-phenyl-carbonimidoyl]benzamide; toluene Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1N=C(C2=CC=CC=C2)N(C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1N=C(C2=CC=CC=C2)N(C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3.C7H8/c1-16-8-6-7-11-20(16)23-21(17-9-4-3-5-10-17)24(2)22(26)18-12-14-19(15-13-18)25(27)28;1-7-5-3-2-4-6-7/h3-15H,1-2H3;2-6H,1H3