diethyl-[(1S)-2-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[oxo-(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-[(3-keto-4H-1,4-benzoxazine-7-carbonyl)amino]-1-phenyl-ethyl]ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC2=C(C=C1)NC(=O)CO2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CC2=C(C=C1)NC(=O)CO2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-3-24(4-2)18(15-8-6-5-7-9-15)13-22-21(26)16-10-11-17-19(12-16)27-14-20(25)23-17/h5-12,18H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1