3-[5-azanyl-3,3,4-tricyano-1-(4-methoxyphenyl)-2H-pyrrol-2-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-[5-azanyl-3,3,4-tricyano-1-(4-methoxyphenyl)-2H-pyrrol-2-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: 3-[5-amino-3,3,4-tricyano-1-(4-methoxyphenyl)-2H-pyrrol-2-yl]-N-hydroxy-benzeneamine oxide CAS Name: 3-[5-amino-3,3,4-tricyano-1-(4-methoxyphenyl)-2H-pyrrol-2-yl]-N-hydroxybenzeneamine oxide IUPAC Name: 3-[5-amino-3,3,4-tricyano-1-(4-methoxyphenyl)-2H-pyrrol-2-yl]-N-hydroxybenzeneamine oxide Traditional Name: 3-[5-amino-3,3,4-tricyano-1-(4-methoxyphenyl)-2-pyrrolin-2-yl]-N-hydroxy-benzeneamine oxide Formula: C20H16N6O3 MolecularWeight: 388.37944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)[NH+](O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)[NH+](O)[O-]

InChI

InChI=1S/C20H16N6O3/c1-29-16-7-5-14(6-8-16)25-18(13-3-2-4-15(9-13)26(27)28)20(11-22,12-23)17(10-21)19(25)24/h2-9,18,26-27H,24H2,1H3