methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-ammonium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CC=C2

InChI

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