ethyl 4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-3-(methylamino)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-3-(methylamino)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-3-(methylamino)-4-oxo-butanoate CAS Name: 4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-3-(methylamino)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-3-(methylamino)-4-oxobutanoate Traditional Name: 4-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-4-keto-3-(methylamino)butyric acid ethyl ester Formula: C17H23N3O6 MolecularWeight: 365.38102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)N1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)NC

Isomeric SMILES

CCOC(=O)CC(C(=O)N1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C)NC

InChI

InChI=1S/C17H23N3O6/c1-5-25-15(21)9-12(18-4)16(22)19-10-17(2,3)26-14-7-6-11(20(23)24)8-13(14)19/h6-8,12,18H,5,9-10H2,1-4H3