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

Systemtic Name: [4-(2-azanyl-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromanyl-6-methoxy-phenyl] 2-cyanoethyl phosphate Openeye Name: [4-(2-amino-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromo-6-methoxy-phenyl] 2-cyanoethyl phosphate CAS Name: [4-(2-amino-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromo-6-methoxyphenyl] 2-cyanoethyl phosphate IUPAC Name: [4-(2-amino-3-cyano-4,7-dihydropyrano[2,3-e]indol-4-yl)-2-bromo-6-methoxyphenyl] 2-cyanoethyl phosphate Traditional Name: [4-(2-amino-3-cyano-4,7-dihydropyran[2,3-e]indol-4-yl)-2-bromo-6-methoxy-phenyl] 2-cyanoethyl phosphate Formula: C22H17BrN4O6P- MolecularWeight: 544.271341

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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-])OCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN4O6P/c1-30-18-10-12(9-16(23)21(18)33-34(28,29)31-8-2-6-24)19-14-3-4-17-13(5-7-27-17)20(14)32-22(26)15(19)11-25/h3-5,7,9-10,19,27H,2,8,26H2,1H3,(H,28,29)/p-1