dimethyl (E)-2-[[2,3-dimethoxy-5-(2-nitroethyl)phenyl]amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[[2,3-dimethoxy-5-(2-nitroethyl)phenyl]amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[2,3-dimethoxy-5-(2-nitroethyl)anilino]but-2-enedioate CAS Name: (E)-2-[2,3-dimethoxy-5-(2-nitroethyl)anilino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2,3-dimethoxy-5-(2-nitroethyl)anilino]but-2-enedioate Traditional Name: (E)-2-[2,3-dimethoxy-5-(2-nitroethyl)anilino]but-2-enedioic acid dimethyl ester Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)NC(=CC(=O)OC)C(=O)OC)CC[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)N/C(=C/C(=O)OC)/C(=O)OC)CC[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O8/c1-23-13-8-10(5-6-18(21)22)7-11(15(13)25-3)17-12(16(20)26-4)9-14(19)24-2/h7-9,17H,5-6H2,1-4H3/b12-9+