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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C16H17ClN3O3+ MolecularWeight: 334.77748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3/c1-19(10-12-5-3-2-4-6-12)11-16(21)18-15-8-7-13(20(22)23)9-14(15)17/h2-9H,10-11H2,1H3,(H,18,21)/p+1