ethyl (Z)-4-[4-(2-methylpropoxy)-3-nitro-phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: ethyl (Z)-4-[4-(2-methylpropoxy)-3-nitro-phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: ethyl (Z)-4-hydroxy-4-(4-isobutoxy-3-nitro-phenyl)-2-oxo-but-3-enoate CAS Name: (Z)-4-hydroxy-4-[4-(2-methylpropoxy)-3-nitrophenyl]-2-oxo-3-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-4-hydroxy-4-[4-(2-methylpropoxy)-3-nitrophenyl]-2-oxobut-3-enoate Traditional Name: (Z)-4-hydroxy-4-(4-isobutoxy-3-nitro-phenyl)-2-keto-but-3-enoic acid ethyl ester Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO7/c1-4-23-16(20)14(19)8-13(18)11-5-6-15(24-9-10(2)3)12(7-11)17(21)22/h5-8,10,18H,4,9H2,1-3H3/b13-8-