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

Systemtic Name: dimethyl (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxidanylidene-3-phenyl-propyl]amino]but-2-enedioate Openeye Name: dimethyl (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxo-3-phenyl-propyl]amino]but-2-enedioate CAS Name: (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxo-3-phenylpropyl]amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[[1-(2,4-dinitrophenyl)-3-oxo-3-phenylpropyl]amino]but-2-enedioate Traditional Name: (Z)-2-[[1-(2,4-dinitrophenyl)-3-keto-3-phenyl-propyl]amino]but-2-enedioic acid dimethyl ester Formula: C21H19N3O9 MolecularWeight: 457.39026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)NC(CC(=O)C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C(/C(=O)OC)\NC(CC(=O)C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O9/c1-32-20(26)12-17(21(27)33-2)22-16(11-19(25)13-6-4-3-5-7-13)15-9-8-14(23(28)29)10-18(15)24(30)31/h3-10,12,16,22H,11H2,1-2H3/b17-12-