methyl 3,5-dimethyl-7-nitro-1,1-bis(oxidanylidene)-4H-1$l^{6},4-benzothiazine-2-carboxylate

Systemtic Name: methyl 3,5-dimethyl-7-nitro-1,1-bis(oxidanylidene)-4H-1$l^{6},4-benzothiazine-2-carboxylate Openeye Name: methyl 3,5-dimethyl-7-nitro-1,1-dioxo-4H-1$l^{6},4-benzothiazine-2-carboxylate CAS Name: 3,5-dimethyl-7-nitro-1,1-dioxo-4H-1$l^{6},4-benzothiazine-2-carboxylic acid methyl ester IUPAC Name: methyl 3,5-dimethyl-7-nitro-1,1-dioxo-4H-1$l^{6},4-benzothiazine-2-carboxylate Traditional Name: 1,1-diketo-3,5-dimethyl-7-nitro-4H-1$l^{6},4-benzothiazine-2-carboxylic acid methyl ester Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C(S2(=O)=O)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1NC(=C(S2(=O)=O)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6S/c1-6-4-8(14(16)17)5-9-10(6)13-7(2)11(12(15)20-3)21(9,18)19/h4-5,13H,1-3H3