(E)-4-(7-methoxy-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid

Systemtic Name: (E)-4-(7-methoxy-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid Openeye Name: (E)-4-(7-methoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid CAS Name: (E)-4-(7-methoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)-2-butenoic acid IUPAC Name: (E)-4-(7-methoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)but-2-enoic acid Traditional Name: (E)-4-(3-keto-7-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=CC=CC2=C1CCC3=CC(=O)N(N=C32)CC=CC(=O)O

Isomeric SMILES

COC1=CC=CC2=C1CCC3=CC(=O)N(N=C32)C/C=C/C(=O)O

InChI

InChI=1S/C17H16N2O4/c1-23-14-5-2-4-13-12(14)8-7-11-10-15(20)19(18-17(11)13)9-3-6-16(21)22/h2-6,10H,7-9H2,1H3,(H,21,22)/b6-3+