ethyl (E)-4-(3,4-dimethoxyphenyl)-3-nitro-2-oxidanyl-but-3-enoate

Systemtic Name: ethyl (E)-4-(3,4-dimethoxyphenyl)-3-nitro-2-oxidanyl-but-3-enoate Openeye Name: ethyl (E)-4-(3,4-dimethoxyphenyl)-2-hydroxy-3-nitro-but-3-enoate CAS Name: (E)-4-(3,4-dimethoxyphenyl)-2-hydroxy-3-nitro-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(3,4-dimethoxyphenyl)-2-hydroxy-3-nitrobut-3-enoate Traditional Name: (E)-4-(3,4-dimethoxyphenyl)-2-hydroxy-3-nitro-but-3-enoic acid ethyl ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7/c1-4-22-14(17)13(16)10(15(18)19)7-9-5-6-11(20-2)12(8-9)21-3/h5-8,13,16H,4H2,1-3H3/b10-7+