methyl 2-(3,5-dinitrophenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(3,5-dinitrophenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3,5-dinitrobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,5-dinitrobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3,5-dinitrobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H12N4O7S MolecularWeight: 416.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O7S/c1-19-13-4-3-9(16(23)28-2)7-14(13)29-17(19)18-15(22)10-5-11(20(24)25)8-12(6-10)21(26)27/h3-8H,1-2H3