(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C13H11ClN4O4S MolecularWeight: 354.76884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN4O4S/c14-12-10(16-17-23-12)6-22-13(19)7-1-4-9(15-8-2-3-8)11(5-7)18(20)21/h1,4-5,8,15H,2-3,6H2