5-ethoxycarbonyl-3-[4-[oxidanidyl(oxidanyl)azaniumyl]phenyl]-N-oxidanyl-1H-pyrrol-2-amine oxide

Systemtic Name: 5-ethoxycarbonyl-3-[4-[oxidanidyl(oxidanyl)azaniumyl]phenyl]-N-oxidanyl-1H-pyrrol-2-amine oxide Openeye Name: 5-ethoxycarbonyl-N-hydroxy-3-[4-[hydroxy(oxido)ammonio]phenyl]-1H-pyrrol-2-amine oxide CAS Name: 5-ethoxycarbonyl-N-hydroxy-3-[4-[hydroxy(oxido)ammonio]phenyl]-1H-pyrrol-2-amine oxide IUPAC Name: 5-ethoxycarbonyl-N-hydroxy-3-[4-[hydroxy(oxido)azaniumyl]phenyl]-1H-pyrrol-2-amine oxide Traditional Name: 5-carbethoxy-N-hydroxy-3-[4-[hydroxy(oxido)ammonio]phenyl]-1H-pyrrol-2-amine oxide Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1)[NH+](O)[O-])C2=CC=C(C=C2)[NH+](O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1)[NH+](O)[O-])C2=CC=C(C=C2)[NH+](O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-2-22-13(17)11-7-10(12(14-11)16(20)21)8-3-5-9(6-4-8)15(18)19/h3-7,14-16,18,20H,2H2,1H3