2,2-dimethyl-6-nitro-4-oxidanidyl-4-pyridin-2-yl-3H-1,4-benzoxazin-4-ium

Systemtic Name: 2,2-dimethyl-6-nitro-4-oxidanidyl-4-pyridin-2-yl-3H-1,4-benzoxazin-4-ium Openeye Name: 2,2-dimethyl-6-nitro-4-oxido-4-(2-pyridyl)-3H-1,4-benzoxazin-4-ium CAS Name: 2,2-dimethyl-6-nitro-4-oxido-4-(2-pyridinyl)-3H-1,4-benzoxazin-4-ium IUPAC Name: 2,2-dimethyl-6-nitro-4-oxido-4-pyridin-2-yl-3H-1,4-benzoxazin-4-ium Traditional Name: 2,2-dimethyl-6-nitro-4-oxido-4-(2-pyridyl)-3H-1,4-benzoxazin-4-ium Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](C2=C(O1)C=CC(=C2)[N+](=O)[O-])(C3=CC=CC=N3)[O-])C

Isomeric SMILES

CC1(C[N+](C2=C(O1)C=CC(=C2)[N+](=O)[O-])(C3=CC=CC=N3)[O-])C

InChI

InChI=1S/C15H15N3O4/c1-15(2)10-18(21,14-5-3-4-8-16-14)12-9-11(17(19)20)6-7-13(12)22-15/h3-9H,10H2,1-2H3