ethyl 5-bromanyl-2,9-dimethyl-7-oxidanylidene-3-(phenylcarbonyl)pyrano[3,2-e]indole-1-carboxylate

Systemtic Name: ethyl 5-bromanyl-2,9-dimethyl-7-oxidanylidene-3-(phenylcarbonyl)pyrano[3,2-e]indole-1-carboxylate Openeye Name: ethyl 3-benzoyl-5-bromo-2,9-dimethyl-7-oxo-pyrano[3,2-e]indole-1-carboxylate CAS Name: 3-benzoyl-5-bromo-2,9-dimethyl-7-oxo-1-pyrano[3,2-e]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-5-bromo-2,9-dimethyl-7-oxopyrano[3,2-e]indole-1-carboxylate Traditional Name: 3-benzoyl-5-bromo-7-keto-2,9-dimethyl-pyran[3,2-e]indole-1-carboxylic acid ethyl ester Formula: C23H18BrNO5 MolecularWeight: 468.29672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C3C(=C21)C(=CC(=O)O3)C)Br)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C3C(=C21)C(=CC(=O)O3)C)Br)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H18BrNO5/c1-4-29-23(28)19-13(3)25(22(27)14-8-6-5-7-9-14)16-11-15(24)21-18(20(16)19)12(2)10-17(26)30-21/h5-11H,4H2,1-3H3