3-(8,9-dimethoxy-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid

Systemtic Name: 3-(8,9-dimethoxy-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid Openeye Name: 3-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid CAS Name: 3-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid IUPAC Name: 3-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid Traditional Name: 3-(3-keto-8,9-dimethoxy-5,6-dihydrobenzo[h]cinnolin-2-yl)propionic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCC3=CC(=O)N(N=C32)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCC3=CC(=O)N(N=C32)CCC(=O)O)OC

InChI

InChI=1S/C17H18N2O5/c1-23-13-7-10-3-4-11-8-15(20)19(6-5-16(21)22)18-17(11)12(10)9-14(13)24-2/h7-9H,3-6H2,1-2H3,(H,21,22)