7-ethoxy-2,2-dimethyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine

Systemtic Name: 7-ethoxy-2,2-dimethyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine Openeye Name: 7-ethoxy-2,2-dimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine CAS Name: 7-ethoxy-2,2-dimethyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-1,3-benzoxazine IUPAC Name: 7-ethoxy-2,2-dimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine Traditional Name: 7-ethoxy-2,2-dimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC(N=C2C3=CC=CC=[N+]3[O-])(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC(N=C2C3=CC=CC=[N+]3[O-])(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-4-24-15-10-14-11(9-13(15)20(22)23)16(18-17(2,3)25-14)12-7-5-6-8-19(12)21/h5-10H,4H2,1-3H3