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

Systemtic Name: methyl 3-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-imidazol-1-yl-3-pyridyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-(1-imidazolyl)-3-pyridinyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-imidazol-1-yl-3-pyridyl)carbamoyl]-5-nitro-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=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

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