benzene-1,2-diol; 2,3-bis(oxidanyl)benzamide; N-ethyl-1-oxidanyl-2-oxidanylidene-3H-pyridin-1-ium-6-carboxamide

Systemtic Name: benzene-1,2-diol; 2,3-bis(oxidanyl)benzamide; N-ethyl-1-oxidanyl-2-oxidanylidene-3H-pyridin-1-ium-6-carboxamide Openeye Name: benzene-1,2-diol; 2,3-dihydroxybenzamide; N-ethyl-1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carboxamide CAS Name: benzene-1,2-diol; 2,3-dihydroxybenzamide; N-ethyl-1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carboxamide IUPAC Name: benzene-1,2-diol; 2,3-dihydroxybenzamide; N-ethyl-1-hydroxy-2-oxo-3H-pyridin-1-ium-6-carboxamide Traditional Name: 2,3-dihydroxybenzamide; N-ethyl-1-hydroxy-2-keto-3H-pyridin-1-ium-6-carboxamide; pyrocatechol Formula: C21H24N3O8+ MolecularWeight: 446.43056

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=[N+](C(=O)CC=C1)O.C1=CC=C(C(=C1)O)O.C1=CC(=C(C(=C1)O)O)C(=O)N

Isomeric SMILES

CCNC(=O)C1=[N+](C(=O)CC=C1)O.C1=CC=C(C(=C1)O)O.C1=CC(=C(C(=C1)O)O)C(=O)N

InChI

InChI=1S/C8H10N2O3.C7H7NO3.C6H6O2/c1-2-9-8(12)6-4-3-5-7(11)10(6)13;8-7(11)4-2-1-3-5(9)6(4)10;7-5-3-1-2-4-6(5)8/h3-4H,2,5H2,1H3,(H-,9,12,13);1-3,9-10H,(H2,8,11);1-4,7-8H/p+1