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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]ammonium Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH2+]CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4/c1-23-15-8-7-13(19(21)22)9-14(15)18-16(20)11-17-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3,(H,18,20)/p+1