dimethyl (Z)-2-cyano-3-[2-(methoxycarbonylamino)-5-nitro-phenyl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-cyano-3-[2-(methoxycarbonylamino)-5-nitro-phenyl]but-2-enedioate Openeye Name: dimethyl (Z)-2-cyano-3-[2-(methoxycarbonylamino)-5-nitro-phenyl]but-2-enedioate CAS Name: (Z)-2-cyano-3-[2-(methoxycarbonylamino)-5-nitrophenyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-cyano-3-[2-(methoxycarbonylamino)-5-nitrophenyl]but-2-enedioate Traditional Name: (Z)-2-[2-(carbomethoxyamino)-5-nitro-phenyl]-3-cyano-but-2-enedioic acid dimethyl ester Formula: C15H13N3O8 MolecularWeight: 363.27902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O8/c1-24-13(19)10(7-16)12(14(20)25-2)9-6-8(18(22)23)4-5-11(9)17-15(21)26-3/h4-6H,1-3H3,(H,17,21)/b12-10-