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

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-nitro-4-phenylazanyl-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C16H11ClN4O4S MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O4S/c17-15-13(19-20-26-15)9-25-16(22)10-6-7-12(14(8-10)21(23)24)18-11-4-2-1-3-5-11/h1-8,18H,9H2