3-azanyl-7-[bis(oxidanyl)amino]-2-[2-(3-methoxyphenyl)ethyl]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: 3-azanyl-7-[bis(oxidanyl)amino]-2-[2-(3-methoxyphenyl)ethyl]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 3-amino-7-(dihydroxyamino)-2-[2-(3-methoxyphenyl)ethyl]-1-oxo-isoquinoline-4-carboxylate CAS Name: 3-amino-7-(dihydroxyamino)-2-[2-(3-methoxyphenyl)ethyl]-1-oxo-4-isoquinolinecarboxylate IUPAC Name: 3-amino-7-(dihydroxyamino)-2-[2-(3-methoxyphenyl)ethyl]-1-oxoisoquinoline-4-carboxylate Traditional Name: 3-amino-7-(dihydroxyamino)-1-keto-2-[2-(3-methoxyphenyl)ethyl]isoquinoline-4-carboxylate Formula: C19H18N3O6- MolecularWeight: 384.36272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)N(O)O)C(=O)[O-])N

Isomeric SMILES

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)N(O)O)C(=O)[O-])N

InChI

InChI=1S/C19H19N3O6/c1-28-13-4-2-3-11(9-13)7-8-21-17(20)16(19(24)25)14-6-5-12(22(26)27)10-15(14)18(21)23/h2-6,9-10,26-27H,7-8,20H2,1H3,(H,24,25)/p-1