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

Systemtic Name: ethyl 5-bromanyl-2,9-dimethyl-7-oxidanylidene-3H-pyrano[3,2-e]indole-1-carboxylate Openeye Name: ethyl 5-bromo-2,9-dimethyl-7-oxo-3H-pyrano[3,2-e]indole-1-carboxylate CAS Name: 5-bromo-2,9-dimethyl-7-oxo-3H-pyrano[3,2-e]indole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2,9-dimethyl-7-oxo-3H-pyrano[3,2-e]indole-1-carboxylate Traditional Name: 5-bromo-7-keto-2,9-dimethyl-3H-pyran[3,2-e]indole-1-carboxylic acid ethyl ester Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C3C(=C21)C(=CC(=O)O3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C3C(=C21)C(=CC(=O)O3)C)Br)C

InChI

InChI=1S/C16H14BrNO4/c1-4-21-16(20)13-8(3)18-10-6-9(17)15-12(14(10)13)7(2)5-11(19)22-15/h5-6,18H,4H2,1-3H3