2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-(hydroxymethyl)-4H-pyrano[2,3-e]indole-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-methylol-4H-pyran[2,3-e]indole-3-carbonitrile Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O4/c1-27-17-8-11(7-15(22)20(17)28-2)18-13-3-4-16-12(5-6-25(16)10-26)19(13)29-21(24)14(18)9-23/h3-8,18,26H,10,24H2,1-2H3