ditert-butyl 2-[aminocarbonyl-(3-methyl-4-nitro-phenyl)amino]pentanedioate

Systemtic Name: ditert-butyl 2-[aminocarbonyl-(3-methyl-4-nitro-phenyl)amino]pentanedioate Openeye Name: ditert-butyl 2-(N-carbamoyl-3-methyl-4-nitro-anilino)pentanedioate CAS Name: 2-(N-carbamoyl-3-methyl-4-nitroanilino)pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(N-carbamoyl-3-methyl-4-nitroanilino)pentanedioate Traditional Name: 2-(N-carbamoyl-3-methyl-4-nitro-anilino)glutaric acid ditert-butyl ester Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O7/c1-13-12-14(8-9-15(13)24(28)29)23(19(22)27)16(18(26)31-21(5,6)7)10-11-17(25)30-20(2,3)4/h8-9,12,16H,10-11H2,1-7H3,(H2,22,27)