methyl 4-[[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6-methyl-2-nitropyridin-3-yl)oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-11-3-8-14(16(19-11)20(23)24)26-10-15(21)18-9-12-4-6-13(7-5-12)17(22)25-2/h3-8H,9-10H2,1-2H3,(H,18,21)