diethyl 2-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-3-(4-nitrophenyl)butanedioate

Systemtic Name: diethyl 2-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-3-(4-nitrophenyl)butanedioate Openeye Name: diethyl 2-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-3-(4-nitrophenyl)butanedioate CAS Name: 2-[(1E)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]ethyl]-3-(4-nitrophenyl)butanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-3-(4-nitrophenyl)butanedioate Traditional Name: 2-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-3-(4-nitrophenyl)succinic acid diethyl ester Formula: C21H29N3O8 MolecularWeight: 451.47026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(/C(=N/NC(=O)OC(C)(C)C)/C)C(=O)OCC

InChI

InChI=1S/C21H29N3O8/c1-7-30-18(25)16(13(3)22-23-20(27)32-21(4,5)6)17(19(26)31-8-2)14-9-11-15(12-10-14)24(28)29/h9-12,16-17H,7-8H2,1-6H3,(H,23,27)/b22-13+