7-[3-bromanyl-5-[5-[2-(3-chloranylhex-5-ynylsulfonyl)-4-nitro-phenyl]-1-methoxy-4-oxidanylidene-pyridin-3-yl]phenyl]heptanenitrile

Systemtic Name: 7-[3-bromanyl-5-[5-[2-(3-chloranylhex-5-ynylsulfonyl)-4-nitro-phenyl]-1-methoxy-4-oxidanylidene-pyridin-3-yl]phenyl]heptanenitrile Openeye Name: 7-[3-bromo-5-[5-[2-(3-chlorohex-5-ynylsulfonyl)-4-nitro-phenyl]-1-methoxy-4-oxo-3-pyridyl]phenyl]heptanenitrile CAS Name: 7-[3-bromo-5-[5-[2-(3-chlorohex-5-ynylsulfonyl)-4-nitrophenyl]-1-methoxy-4-oxo-3-pyridinyl]phenyl]heptanenitrile IUPAC Name: 7-[3-bromo-5-[5-[2-(3-chlorohex-5-ynylsulfonyl)-4-nitrophenyl]-1-methoxy-4-oxopyridin-3-yl]phenyl]heptanenitrile Traditional Name: 7-[3-bromo-5-[5-[2-(3-chlorohex-5-ynylsulfonyl)-4-nitro-phenyl]-4-keto-1-methoxy-3-pyridyl]phenyl]enanthonitrile Formula: C31H31BrClN3O6S MolecularWeight: 689.01634

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Descriptors Computed from Structure

Canonical SMILES:

CON1C=C(C(=O)C(=C1)C2=CC(=CC(=C2)Br)CCCCCCC#N)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)CCC(CC#C)Cl

Isomeric SMILES

CON1C=C(C(=O)C(=C1)C2=CC(=CC(=C2)Br)CCCCCCC#N)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)CCC(CC#C)Cl

InChI

InChI=1S/C31H31BrClN3O6S/c1-3-9-25(33)13-15-43(40,41)30-19-26(36(38)39)11-12-27(30)29-21-35(42-2)20-28(31(29)37)23-16-22(17-24(32)18-23)10-7-5-4-6-8-14-34/h1,11-12,16-21,25H,4-10,13,15H2,2H3