methyl 3-nitro-5-[(2-pyrazol-1-ylpyridin-3-yl)methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-pyrazol-1-ylpyridin-3-yl)methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(2-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-(1-pyrazolyl)-3-pyridinyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-pyrazol-1-ylpyridin-3-yl)methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[(2-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]benzoic acid methyl ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=C(N=CC=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=C(N=CC=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-28-18(25)14-8-13(9-15(10-14)23(26)27)17(24)20-11-12-4-2-5-19-16(12)22-7-3-6-21-22/h2-10H,11H2,1H3,(H,20,24)