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

Systemtic Name: methyl 2-[(3-nitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5S/c1-24-15(21)10-5-6-12-13(8-10)25-16(17-12)18-14(20)9-3-2-4-11(7-9)19(22)23/h2-8H,1H3,(H,17,18,20)