methyl 3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoic acid methyl ester Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5/c1-27-16(24)12-7-11(8-13(9-12)22(25)26)15(23)19-17-18-14(20-21-17)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,19,20,21,23)