2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Openeye Name: 2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid CAS Name: 2-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid IUPAC Name: 2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Traditional Name: 2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC(=C2OC1NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1CNC2=CC=CC(=C2OC1NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C19H16ClN3O4/c20-11-4-5-13-10(8-11)9-15(22-13)18(24)23-16-6-7-21-14-3-1-2-12(19(25)26)17(14)27-16/h1-5,8-9,16,21-22H,6-7H2,(H,23,24)(H,25,26)