[4-(2-azanyl-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromanyl-6-methoxy-phenyl] phosphate

Systemtic Name: [4-(2-azanyl-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromanyl-6-methoxy-phenyl] phosphate Openeye Name: [4-(2-amino-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromo-6-methoxy-phenyl] phosphate CAS Name: [4-(2-amino-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromo-6-methoxyphenyl] phosphate IUPAC Name: [4-(2-amino-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromo-6-methoxyphenyl] phosphate Traditional Name: [4-(2-amino-3-cyano-4,7-dihydropyran[2,3-e]indol-4-yl)-2-bromo-6-methoxy-phenyl] phosphate Formula: C19H13BrN3O6P-2 MolecularWeight: 490.200781

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC=C4)OC(=C2C#N)N)Br)OP(=O)([O-])[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC=C4)OC(=C2C#N)N)Br)OP(=O)([O-])[O-]

InChI

InChI=1S/C19H15BrN3O6P/c1-27-15-7-9(6-13(20)18(15)29-30(24,25)26)16-11-2-3-14-10(4-5-23-14)17(11)28-19(22)12(16)8-21/h2-7,16,23H,22H2,1H3,(H2,24,25,26)/p-2