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

Systemtic Name: ethyl 3,5-dimethyl-7-nitro-1,1-bis(oxidanylidene)-4H-1$l^{6},4-benzothiazine-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-7-nitro-1,1-dioxo-4H-1$l^{6},4-benzothiazine-2-carboxylate CAS Name: 3,5-dimethyl-7-nitro-1,1-dioxo-4H-1$l^{6},4-benzothiazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-7-nitro-1,1-dioxo-4H-1$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 ethyl ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(S1(=O)=O)C=C(C=C2C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(S1(=O)=O)C=C(C=C2C)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N2O6S/c1-4-21-13(16)12-8(3)14-11-7(2)5-9(15(17)18)6-10(11)22(12,19)20/h5-6,14H,4H2,1-3H3