ethyl 2-[6,6-dimethyl-1-oxidanidyl-3-oxidanylidene-4-(phenylmethyl)-2,5-dihydro-1,4-diazepin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[6,6-dimethyl-1-oxidanidyl-3-oxidanylidene-4-(phenylmethyl)-2,5-dihydro-1,4-diazepin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-(4-benzyl-6,6-dimethyl-1-oxido-3-oxo-2,5-dihydro-1,4-diazepin-1-ium-2-yl)acetate CAS Name: 2-[6,6-dimethyl-1-oxido-3-oxo-4-(phenylmethyl)-2,5-dihydro-1,4-diazepin-1-ium-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzyl-6,6-dimethyl-1-oxido-3-oxo-2,5-dihydro-1,4-diazepin-1-ium-2-yl)acetate Traditional Name: 2-(4-benzyl-3-keto-6,6-dimethyl-1-oxido-2,5-dihydro-1,4-diazepin-1-ium-2-yl)acetic acid ethyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(CC(C=[N+]1[O-])(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1C(=O)N(CC(C=[N+]1[O-])(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O4/c1-4-24-16(21)10-15-17(22)19(11-14-8-6-5-7-9-14)12-18(2,3)13-20(15)23/h5-9,13,15H,4,10-12H2,1-3H3