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

Systemtic Name: 3-(8-acetamido-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid Openeye Name: 3-(8-acetamido-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid CAS Name: 3-(8-acetamido-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid IUPAC Name: 3-(8-acetamido-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)propanoic acid Traditional Name: 3-(8-acetamido-3-keto-5,6-dihydrobenzo[h]cinnolin-2-yl)propionic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C3=NN(C(=O)C=C3CC2)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C3=NN(C(=O)C=C3CC2)CCC(=O)O

InChI

InChI=1S/C17H17N3O4/c1-10(21)18-13-4-5-14-11(8-13)2-3-12-9-15(22)20(19-17(12)14)7-6-16(23)24/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,21)(H,23,24)