(4-nitrophenyl) 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: (4-nitrophenyl) 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylic acid (4-nitrophenyl) ester Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN4O4S/c20-13-2-7-16-17(12-13)29-18(21-16)22-8-1-9-23(11-10-22)19(25)28-15-5-3-14(4-6-15)24(26)27/h2-7,12H,1,8-11H2