2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-2-(phenylmethoxymethyl)-3H-1,4-benzoxazine

Systemtic Name: 2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-2-(phenylmethoxymethyl)-3H-1,4-benzoxazine Openeye Name: 2-(benzyloxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine CAS Name: 2-methyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-2-(phenylmethoxymethyl)-3H-1,4-benzoxazine IUPAC Name: 2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-2-(phenylmethoxymethyl)-3H-1,4-benzoxazine Traditional Name: 2-(benzoxymethyl)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])COCC4=CC=CC=C4

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])COCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O5/c1-22(16-29-14-17-7-3-2-4-8-17)15-23(21-9-5-6-12-24(21)26)19-13-18(25(27)28)10-11-20(19)30-22/h2-13H,14-16H2,1H3