3-chloranyl-6-propyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid

Systemtic Name: 3-chloranyl-6-propyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid Openeye Name: 3-chloro-6-propyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid CAS Name: 3-chloro-6-propyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid IUPAC Name: 3-chloro-6-propyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid Traditional Name: 3-chloro-6-propyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2OC3=C(N1C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

CCCC1C2=CC=CC=C2OC3=C(N1C(=O)O)C=C(C=C3)Cl

InChI

InChI=1S/C17H16ClNO3/c1-2-5-13-12-6-3-4-7-15(12)22-16-9-8-11(18)10-14(16)19(13)17(20)21/h3-4,6-10,13H,2,5H2,1H3,(H,20,21)