2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-4H-pyrano[2,3-e]indole-7-carboxylic acid

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-4H-pyrano[2,3-e]indole-7-carboxylic acid Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-3-cyano-4H-pyrano[2,3-e]indole-7-carboxylic acid CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-pyrano[2,3-e]indole-7-carboxylic acid IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-pyrano[2,3-e]indole-7-carboxylic acid Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-3-cyano-4H-pyran[2,3-e]indole-7-carboxylic acid Formula: C21H16BrN3O5 MolecularWeight: 470.27284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)N(C=C4)C(=O)O)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)N(C=C4)C(=O)O)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C21H16BrN3O5/c1-28-16-8-10(7-14(22)19(16)29-2)17-12-3-4-15-11(5-6-25(15)21(26)27)18(12)30-20(24)13(17)9-23/h3-8,17H,24H2,1-2H3,(H,26,27)