dimethyl 3,7-bis(oxidanylidene)-1-(phenylmethyl)-1,4-diazepane-5,6-dicarboxylate

Systemtic Name: dimethyl 3,7-bis(oxidanylidene)-1-(phenylmethyl)-1,4-diazepane-5,6-dicarboxylate Openeye Name: dimethyl 1-benzyl-3,7-dioxo-1,4-diazepane-5,6-dicarboxylate CAS Name: 3,7-dioxo-1-(phenylmethyl)-1,4-diazepane-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-3,7-dioxo-1,4-diazepane-5,6-dicarboxylate Traditional Name: 1-benzyl-3,7-diketo-1,4-diazepane-5,6-dicarboxylic acid dimethyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)CN(C1=O)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1C(NC(=O)CN(C1=O)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O6/c1-23-15(21)12-13(16(22)24-2)17-11(19)9-18(14(12)20)8-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3,(H,17,19)