2-(9-bromanyl-2,3-dimethoxy-6-oxidanylidene-5,7-dihydroindolo[3,2-d][1]benzazepin-12-yl)ethanoic acid

Systemtic Name: 2-(9-bromanyl-2,3-dimethoxy-6-oxidanylidene-5,7-dihydroindolo[3,2-d][1]benzazepin-12-yl)ethanoic acid Openeye Name: 2-(9-bromo-2,3-dimethoxy-6-oxo-5,7-dihydroindolo[3,2-d][1]benzazepin-12-yl)acetic acid CAS Name: 2-(9-bromo-2,3-dimethoxy-6-oxo-5,7-dihydroindolo[3,2-d][1]benzazepin-12-yl)acetic acid IUPAC Name: 2-(9-bromo-2,3-dimethoxy-6-oxo-5,7-dihydroindolo[3,2-d][1]benzazepin-12-yl)acetic acid Traditional Name: 2-(9-bromo-6-keto-2,3-dimethoxy-5,7-dihydroindolo[3,2-d][1]benzazepin-12-yl)acetic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3CC(=O)O)C=CC(=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3CC(=O)O)C=CC(=C4)Br)OC

InChI

InChI=1S/C20H17BrN2O5/c1-27-16-6-13-14(8-17(16)28-2)22-18(24)7-12-11-5-10(21)3-4-15(11)23(20(12)13)9-19(25)26/h3-6,8H,7,9H2,1-2H3,(H,22,24)(H,25,26)