ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O7S/c1-2-28-16(23)9-3-4-13-14(7-9)29-17(18-13)19-15(22)10-5-11(20(24)25)8-12(6-10)21(26)27/h3-8H,2H2,1H3,(H,18,19,22)