methyl 3-methyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]pentanoate CAS Name: 3-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]pentanoate Traditional Name: 2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CN1C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6/c1-4-9(2)13(14(20)23-3)15-11(18)8-16-7-10(17(21)22)5-6-12(16)19/h5-7,9,13H,4,8H2,1-3H3,(H,15,18)