(3-nitrophenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate

Systemtic Name: (3-nitrophenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate Openeye Name: (3-nitrophenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate CAS Name: (E)-3-dimethoxyphosphoryloxy-2-butenoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate Traditional Name: (E)-3-dimethoxyphosphoryloxybut-2-enoic acid (3-nitrobenzyl) ester Formula: C13H16NO8P MolecularWeight: 345.241801

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])OP(=O)(OC)OC

Isomeric SMILES

C/C(=C\C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])/OP(=O)(OC)OC

InChI

InChI=1S/C13H16NO8P/c1-10(22-23(18,19-2)20-3)7-13(15)21-9-11-5-4-6-12(8-11)14(16)17/h4-8H,9H2,1-3H3/b10-7+