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

Systemtic Name: 4-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid Openeye Name: 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-oxo-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid CAS Name: 4-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3-oxo-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid IUPAC Name: 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-oxo-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid Traditional Name: 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-keto-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(C2=CC=CC=C21)C(=O)O)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1C(C(=O)NC(C2=CC=CC=C21)C(=O)O)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H16ClN3O4/c21-12-5-6-14-11(7-12)9-15(22-14)18(25)23-16-8-10-3-1-2-4-13(10)17(20(27)28)24-19(16)26/h1-7,9,16-17,22H,8H2,(H,23,25)(H,24,26)(H,27,28)