2-(11-pyridin-3-ylimino-6H-benzo[c][1]benzoxepin-2-yl)ethanoic acid

Systemtic Name: 2-(11-pyridin-3-ylimino-6H-benzo[c][1]benzoxepin-2-yl)ethanoic acid Openeye Name: 2-[11-(3-pyridylimino)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid CAS Name: 2-[11-(3-pyridinylimino)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid IUPAC Name: 2-(11-pyridin-3-ylimino-6H-benzo[c][1]benzoxepin-2-yl)acetic acid Traditional Name: 2-[11-(3-pyridylimino)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC3=CN=CC=C3)C4=C(O1)C=CC(=C4)CC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=NC3=CN=CC=C3)C4=C(O1)C=CC(=C4)CC(=O)O

InChI

InChI=1S/C21H16N2O3/c24-20(25)11-14-7-8-19-18(10-14)21(23-16-5-3-9-22-12-16)17-6-2-1-4-15(17)13-26-19/h1-10,12H,11,13H2,(H,24,25)