dimethyl (E)-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]phenyl]amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]phenyl]amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-[(tert-butoxycarbonylamino)carbamoyl]anilino]but-2-enedioate CAS Name: (E)-2-[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazo]-oxomethyl]anilino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]anilino]but-2-enedioate Traditional Name: (E)-2-[2-[(tert-butoxycarbonylamino)carbamoyl]anilino]but-2-enedioic acid dimethyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C1=CC=CC=C1NC(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C1=CC=CC=C1N/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C18H23N3O7/c1-18(2,3)28-17(25)21-20-15(23)11-8-6-7-9-12(11)19-13(16(24)27-5)10-14(22)26-4/h6-10,19H,1-5H3,(H,20,23)(H,21,25)/b13-10+