methyl 3-[(2-methyl-5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]benzoate

Systemtic Name: methyl 3-[(2-methyl-5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]benzoate Openeye Name: methyl 3-(2-methyl-5-oxo-1,4-diazepane-1-carbonyl)benzoate CAS Name: 3-[(2-methyl-5-oxo-1,4-diazepan-1-yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-methyl-5-oxo-1,4-diazepane-1-carbonyl)benzoate Traditional Name: 3-(5-keto-2-methyl-1,4-diazepane-1-carbonyl)benzoic acid methyl ester Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)CCN1C(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC1CNC(=O)CCN1C(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C15H18N2O4/c1-10-9-16-13(18)6-7-17(10)14(19)11-4-3-5-12(8-11)15(20)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)