tert-butyl 4-[(4-chloranyl-3-nitro-phenyl)methyl-[3-(dimethylcarbamoyl)phenyl]amino]-2,4-bis(oxidanylidene)butanoate

Systemtic Name: tert-butyl 4-[(4-chloranyl-3-nitro-phenyl)methyl-[3-(dimethylcarbamoyl)phenyl]amino]-2,4-bis(oxidanylidene)butanoate Openeye Name: tert-butyl 4-[N-[(4-chloro-3-nitro-phenyl)methyl]-3-(dimethylcarbamoyl)anilino]-2,4-dioxo-butanoate CAS Name: 4-[N-[(4-chloro-3-nitrophenyl)methyl]-3-[dimethylamino(oxo)methyl]anilino]-2,4-dioxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-[(4-chloro-3-nitrophenyl)methyl]-3-(dimethylcarbamoyl)anilino]-2,4-dioxobutanoate Traditional Name: 4-[N-(4-chloro-3-nitro-benzyl)-3-(dimethylcarbamoyl)anilino]-2,4-diketo-butyric acid tert-butyl ester Formula: C24H26ClN3O7 MolecularWeight: 503.93214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CC(=C2)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CC(=C2)C(=O)N(C)C

InChI

InChI=1S/C24H26ClN3O7/c1-24(2,3)35-23(32)20(29)13-21(30)27(14-15-9-10-18(25)19(11-15)28(33)34)17-8-6-7-16(12-17)22(31)26(4)5/h6-12H,13-14H2,1-5H3