methyl 2-[2-(3,5-dinitrophenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(3,5-dinitrophenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3,5-dinitrobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,5-dinitrobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dinitrobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H16N4O9S MolecularWeight: 476.41674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OC)OC

InChI

InChI=1S/C19H16N4O9S/c1-30-14-7-13-16(8-15(14)31-2)33-19(21(13)9-17(24)32-3)20-18(25)10-4-11(22(26)27)6-12(5-10)23(28)29/h4-8H,9H2,1-3H3