methyl 4-[[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-25-16(22)12-4-2-11(3-5-12)8-17-14(20)10-18-9-13(19(23)24)6-7-15(18)21/h2-7,9H,8,10H2,1H3,(H,17,20)