(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-pyridin-3-yl-methanone hydrochloride

Systemtic Name: (2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-pyridin-3-yl-methanone hydrochloride Openeye Name: (2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-(3-pyridyl)methanone hydrochloride CAS Name: (2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-(3-pyridinyl)methanone hydrochloride IUPAC Name: (2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone hydrochloride Traditional Name: (2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-(3-pyridyl)methanone hydrochloride Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4.ClH/c1-16(2)10-18(15(20)11-4-3-7-17-9-11)13-8-12(19(21)22)5-6-14(13)23-16;/h3-9H,10H2,1-2H3;1H