N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(5-nitro-1H-indol-3-yl)-2-oxo-acetamide CAS Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-keto-2-(5-nitro-1H-indol-3-yl)acetamide Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1CCNC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H15N3O6/c22-15-4-1-10(7-16(15)23)5-6-19-18(25)17(24)13-9-20-14-3-2-11(21(26)27)8-12(13)14/h1-4,7-9,20,22-23H,5-6H2,(H,19,25)