tert-butyl 2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-4-carboxylate

Systemtic Name: tert-butyl 2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-4-carboxylate Openeye Name: tert-butyl 1-benzyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-4-carboxylate CAS Name: 2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-4-carboxylate Traditional Name: 1-benzyl-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-4-carboxylic acid tert-butyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)C2=CC=CC=C2N(C(=O)C1)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)C2=CC=CC=C2N(C(=O)C1)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-23(2,3)29-22(28)24-14-13-20(26)18-11-7-8-12-19(18)25(21(27)16-24)15-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3