methyl-[(4-methylphenyl)methyl]-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(4-methylphenyl)methyl]-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[2-(3-nitroanilino)-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: methyl-[(4-methylphenyl)methyl]-[2-(3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: methyl-[(4-methylphenyl)methyl]-[2-(3-nitroanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(3-nitroanilino)ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c1-13-6-8-14(9-7-13)11-19(2)12-17(21)18-15-4-3-5-16(10-15)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21)/p+1