2,2-dimethyl-6-nitro-4-(pyridin-3-ylmethyl)-3H-1,4-benzoxazine hydrochloride

Systemtic Name: 2,2-dimethyl-6-nitro-4-(pyridin-3-ylmethyl)-3H-1,4-benzoxazine hydrochloride Openeye Name: 2,2-dimethyl-6-nitro-4-(3-pyridylmethyl)-3H-1,4-benzoxazine hydrochloride CAS Name: 2,2-dimethyl-6-nitro-4-(3-pyridinylmethyl)-3H-1,4-benzoxazine hydrochloride IUPAC Name: 2,2-dimethyl-6-nitro-4-(pyridin-3-ylmethyl)-3H-1,4-benzoxazine hydrochloride Traditional Name: 2,2-dimethyl-6-nitro-4-(3-pyridylmethyl)-3H-1,4-benzoxazine hydrochloride Formula: C16H18ClN3O3 MolecularWeight: 335.78542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CN=CC=C3)C.Cl

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CN=CC=C3)C.Cl

InChI

InChI=1S/C16H17N3O3.ClH/c1-16(2)11-18(10-12-4-3-7-17-9-12)14-8-13(19(20)21)5-6-15(14)22-16;/h3-9H,10-11H2,1-2H3;1H