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

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H10N4O7S MolecularWeight: 402.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O7S/c1-27-15(22)8-2-3-12-13(6-8)28-16(17-12)18-14(21)9-4-10(19(23)24)7-11(5-9)20(25)26/h2-7H,1H3,(H,17,18,21)