(E)-4-(9-methoxy-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid

Systemtic Name: (E)-4-(9-methoxy-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid Openeye Name: (E)-4-(9-methoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid CAS Name: (E)-4-(9-methoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)-2-butenoic acid IUPAC Name: (E)-4-(9-methoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid Traditional Name: (E)-4-(3-keto-9-methoxy-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC3=CC(=O)N(N=C32)CC=CC(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CCC3=CC(=O)N(N=C32)C/C=C/C(=O)O)C=C1

InChI

InChI=1S/C17H16N2O4/c1-23-13-7-6-11-4-5-12-9-15(20)19(8-2-3-16(21)22)18-17(12)14(11)10-13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,21,22)/b3-2+