N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxo-acetamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide Traditional Name: 2-keto-2-(5-nitro-1H-indol-3-yl)-N-vanillyl-acetamide Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)