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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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