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

Systemtic Name: dimethyl (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxidanylidene-butyl]amino]but-2-enedioate Openeye Name: dimethyl (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxo-butyl]amino]but-2-enedioate CAS Name: (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxobutyl]amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxobutyl]amino]but-2-enedioate Traditional Name: (Z)-2-[[1-(2,4-dinitrophenyl)-3-keto-butyl]amino]but-2-enedioic acid dimethyl ester Formula: C16H17N3O9 MolecularWeight: 395.32088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O9/c1-9(20)6-12(17-13(16(22)28-3)8-15(21)27-2)11-5-4-10(18(23)24)7-14(11)19(25)26/h4-5,7-8,12,17H,6H2,1-3H3/b13-8-