(2-methyl-5-nitro-phenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate

Systemtic Name: (2-methyl-5-nitro-phenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate Openeye Name: (2-methyl-5-nitro-phenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate CAS Name: (E)-3-dimethoxyphosphoryloxy-2-butenoic acid (2-methyl-5-nitrophenyl)methyl ester IUPAC Name: (2-methyl-5-nitrophenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate Traditional Name: (E)-3-dimethoxyphosphoryloxybut-2-enoic acid (2-methyl-5-nitro-benzyl) ester Formula: C14H18NO8P MolecularWeight: 359.268381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C=C(C)OP(=O)(OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)/C=C(\C)/OP(=O)(OC)OC

InChI

InChI=1S/C14H18NO8P/c1-10-5-6-13(15(17)18)8-12(10)9-22-14(16)7-11(2)23-24(19,20-3)21-4/h5-8H,9H2,1-4H3/b11-7+