dimethyl (E)-2-[tert-butyl-(4-nitrophenyl)carbonyl-carbamoyl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[tert-butyl-(4-nitrophenyl)carbonyl-carbamoyl]but-2-enedioate Openeye Name: dimethyl (E)-2-[tert-butyl-(4-nitrobenzoyl)carbamoyl]but-2-enedioate CAS Name: (E)-2-[[tert-butyl-[(4-nitrophenyl)-oxomethyl]amino]-oxomethyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[tert-butyl-(4-nitrobenzoyl)carbamoyl]but-2-enedioate Traditional Name: (E)-2-[tert-butyl-(4-nitrobenzoyl)carbamoyl]but-2-enedioic acid dimethyl ester Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O8/c1-18(2,3)19(15(22)11-6-8-12(9-7-11)20(25)26)16(23)13(17(24)28-5)10-14(21)27-4/h6-10H,1-5H3/b13-10+