methyl (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenyl-but-2-enoate

Systemtic Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenyl-but-2-enoate Openeye Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenyl-but-2-enoate CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenyl-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenylbut-2-enoate Traditional Name: (Z)-3-(4-mesylphenyl)-4-nitrooxy-2-phenyl-but-2-enoic acid methyl ester Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CO[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=C(\CO[N+](=O)[O-])/C1=CC=C(C=C1)S(=O)(=O)C)/C2=CC=CC=C2

InChI

InChI=1S/C18H17NO7S/c1-25-18(20)17(14-6-4-3-5-7-14)16(12-26-19(21)22)13-8-10-15(11-9-13)27(2,23)24/h3-11H,12H2,1-2H3/b17-16+