2-(4-hydroxyphenyl)ethyl-[2-[(5-nitro-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(4-hydroxyphenyl)ethyl-[2-[(5-nitro-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(2-hydroxy-5-nitro-anilino)-2-oxo-ethyl]-[2-(4-hydroxyphenyl)ethyl]ammonium CAS Name: [2-(2-hydroxy-5-nitroanilino)-2-oxoethyl]-[2-(4-hydroxyphenyl)ethyl]ammonium IUPAC Name: [2-(2-hydroxy-5-nitroanilino)-2-oxoethyl]-[2-(4-hydroxyphenyl)ethyl]azanium Traditional Name: [2-(2-hydroxy-5-nitro-anilino)-2-keto-ethyl]-[2-(4-hydroxyphenyl)ethyl]ammonium Formula: C16H18N3O5+ MolecularWeight: 332.33122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[NH2+]CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=CC=C1CC[NH2+]CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C16H17N3O5/c20-13-4-1-11(2-5-13)7-8-17-10-16(22)18-14-9-12(19(23)24)3-6-15(14)21/h1-6,9,17,20-21H,7-8,10H2,(H,18,22)/p+1