3-azanyl-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 3-amino-1-keto-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-isoquinoline-4-carboxylic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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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/C19H17N3O6/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/h2-6,9-10H,7-8,20H2,1H3,(H,24,25)