10-bromanyl-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3,6-dicarboxylate

Systemtic Name: 10-bromanyl-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3,6-dicarboxylate Openeye Name: 10-bromo-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3,6-dicarboxylate CAS Name: 10-bromo-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3,6-dicarboxylate IUPAC Name: 10-bromo-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3,6-dicarboxylate Traditional Name: 10-bromo-1,2,4,5,5a,10b-hexahydroazepin[4,5-b]indole-3,6-dicarboxylate Formula: C14H13BrN2O4-2 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2C1C3=C(N2C(=O)[O-])C=CC=C3Br)C(=O)[O-]

Isomeric SMILES

C1CN(CCC2C1C3=C(N2C(=O)[O-])C=CC=C3Br)C(=O)[O-]

InChI

InChI=1S/C14H15BrN2O4/c15-9-2-1-3-11-12(9)8-4-6-16(13(18)19)7-5-10(8)17(11)14(20)21/h1-3,8,10H,4-7H2,(H,18,19)(H,20,21)/p-2