1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3,11-dicarboxylic acid

Systemtic Name: 1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3,11-dicarboxylic acid Openeye Name: 1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3,11-dicarboxylic acid CAS Name: 1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3,11-dicarboxylic acid IUPAC Name: 1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3,11-dicarboxylic acid Traditional Name: 1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3,11-dicarboxylic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=NC3=CC=CC=C3C(=C21)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC2=NC3=CC=CC=C3C(=C21)C(=O)O)C(=O)O

InChI

InChI=1S/C15H14N2O4/c18-14(19)13-9-3-1-2-4-11(9)16-12-6-8-17(15(20)21)7-5-10(12)13/h1-4H,5-8H2,(H,18,19)(H,20,21)