6-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid

Systemtic Name: 6-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid Openeye Name: 6-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid CAS Name: 6-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxylic acid IUPAC Name: 6-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid Traditional Name: 6-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxylic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC(=C2OC1)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1COC2=C(C=CC(=C2OC1)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN2O5/c20-11-2-4-13-10(8-11)9-15(21-13)18(23)22-14-5-3-12(19(24)25)16-17(14)27-7-1-6-26-16/h2-5,8-9,21H,1,6-7H2,(H,22,23)(H,24,25)