(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C17H13ClN4O4S/c18-16-15(20-21-27-16)10-26-17(23)13-8-12(22(24)25)6-7-14(13)19-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2