6,9-dimethylbenzo[b][1,4]benzoxazepine-3-carboxylic acid

Systemtic Name: 6,9-dimethylbenzo[b][1,4]benzoxazepine-3-carboxylic acid Openeye Name: 6,9-dimethylbenzo[b][1,4]benzoxazepine-3-carboxylic acid CAS Name: 6,9-dimethyl-3-benzo[b][1,4]benzoxazepinecarboxylic acid IUPAC Name: 6,9-dimethylbenzo[b][1,4]benzoxazepine-3-carboxylic acid Traditional Name: 6,9-dimethylbenzo[b][1,4]benzoxazepine-3-carboxylic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC3=C(O2)C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC3=C(O2)C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C16H13NO3/c1-9-3-5-12-10(2)17-13-8-11(16(18)19)4-6-14(13)20-15(12)7-9/h3-8H,1-2H3,(H,18,19)