7-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid

Systemtic Name: 7-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Openeye Name: 7-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid CAS Name: 7-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid IUPAC Name: 7-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Traditional Name: 7-[(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=C(C(=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O)OC1

Isomeric SMILES

C1CNC2=C(C(=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O)OC1

InChI

InChI=1S/C19H16ClN3O4/c20-11-2-3-14-10(6-11)7-16(23-14)18(24)22-12-8-13(19(25)26)17-15(9-12)21-4-1-5-27-17/h2-3,6-9,21,23H,1,4-5H2,(H,22,24)(H,25,26)