methyl (E)-3-(2-methoxy-5-nitro-phenoxy)but-2-enoate

Systemtic Name: methyl (E)-3-(2-methoxy-5-nitro-phenoxy)but-2-enoate Openeye Name: methyl (E)-3-(2-methoxy-5-nitro-phenoxy)but-2-enoate CAS Name: (E)-3-(2-methoxy-5-nitrophenoxy)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-methoxy-5-nitrophenoxy)but-2-enoate Traditional Name: (E)-3-(2-methoxy-5-nitro-phenoxy)but-2-enoic acid methyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)OC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

C/C(=C\C(=O)OC)/OC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C12H13NO6/c1-8(6-12(14)18-3)19-11-7-9(13(15)16)4-5-10(11)17-2/h4-7H,1-3H3/b8-6+