8-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Systemtic Name: 8-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Openeye Name: 8-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid CAS Name: 8-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid IUPAC Name: 8-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Traditional Name: 8-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O)OC1

InChI

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