2,2-dimethyl-4-(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-6-nitro-3H-1,4-benzoxazine

Systemtic Name: 2,2-dimethyl-4-(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-6-nitro-3H-1,4-benzoxazine Openeye Name: 2,2-dimethyl-4-(6-methyl-1-oxido-pyridin-1-ium-2-yl)-6-nitro-3H-1,4-benzoxazine CAS Name: 2,2-dimethyl-4-(6-methyl-1-oxido-2-pyridin-1-iumyl)-6-nitro-3H-1,4-benzoxazine IUPAC Name: 2,2-dimethyl-4-(6-methyl-1-oxidopyridin-1-ium-2-yl)-6-nitro-3H-1,4-benzoxazine Traditional Name: 2,2-dimethyl-4-(6-methyl-1-oxido-pyridin-1-ium-2-yl)-6-nitro-3H-1,4-benzoxazine Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC=C1)N2CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)[O-]

Isomeric SMILES

CC1=[N+](C(=CC=C1)N2CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)[O-]

InChI

InChI=1S/C16H17N3O4/c1-11-5-4-6-15(18(11)20)17-10-16(2,3)23-14-8-7-12(19(21)22)9-13(14)17/h4-9H,10H2,1-3H3