methyl 3-nitro-5-[(phenylmethyl)-pyridin-2-yl-carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(phenylmethyl)-pyridin-2-yl-carbamoyl]benzoate Openeye Name: methyl 3-[benzyl(2-pyridyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[(phenylmethyl)-(2-pyridinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[benzyl(2-pyridyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5/c1-29-21(26)17-11-16(12-18(13-17)24(27)28)20(25)23(19-9-5-6-10-22-19)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3