methyl 3-nitro-5-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(6-pyrazol-1-yl-3-pyridyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[6-(1-pyrazolyl)-3-pyridinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(6-pyrazol-1-yl-3-pyridyl)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=CN=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

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