[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-methyl-ammonium Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4/c1-19(11-13-6-4-3-5-7-13)12-17(21)18-15-9-8-14(24-2)10-16(15)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21)/p+1