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

Systemtic Name: butyl 2-[(3-nitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-2-3-9-27-18(24)13-7-8-15-16(11-13)28-19(20-15)21-17(23)12-5-4-6-14(10-12)22(25)26/h4-8,10-11H,2-3,9H2,1H3,(H,20,21,23)