tert-butyl 4-[(3-methylphenyl)carbamoyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-methylphenyl)carbamoyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate Openeye Name: tert-butyl 4-(m-tolylcarbamoyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate CAS Name: 4-[(3-methylanilino)-oxomethyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-methylphenyl)carbamoyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylate Traditional Name: 2,7-diketo-4-(m-tolylcarbamoyl)-5,6-dihydro-3H-1,4-benzodiazonine-1-carboxylic acid tert-butyl ester Formula: C24H27N3O5 MolecularWeight: 437.48828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCC(=O)C3=CC=CC=C3N(C(=O)C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC(=O)C3=CC=CC=C3N(C(=O)C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27N3O5/c1-16-8-7-9-17(14-16)25-22(30)26-13-12-20(28)18-10-5-6-11-19(18)27(21(29)15-26)23(31)32-24(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,25,30)