dimethyl (Z)-2-[[1-(4-nitrophenyl)-3-oxidanylidene-butyl]amino]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[[1-(4-nitrophenyl)-3-oxidanylidene-butyl]amino]but-2-enedioate Openeye Name: dimethyl (Z)-2-[[1-(4-nitrophenyl)-3-oxo-butyl]amino]but-2-enedioate CAS Name: (Z)-2-[[1-(4-nitrophenyl)-3-oxobutyl]amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[[1-(4-nitrophenyl)-3-oxobutyl]amino]but-2-enedioate Traditional Name: (Z)-2-[[3-keto-1-(4-nitrophenyl)butyl]amino]but-2-enedioic acid dimethyl ester Formula: C16H18N2O7 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7/c1-10(19)8-13(11-4-6-12(7-5-11)18(22)23)17-14(16(21)25-3)9-15(20)24-2/h4-7,9,13,17H,8H2,1-3H3/b14-9-