5-methyl-3-[[1-(5-nitropyridin-2-yl)-3-oxidanylidene-butan-2-yl]amino]hexan-2-one

Systemtic Name: 5-methyl-3-[[1-(5-nitropyridin-2-yl)-3-oxidanylidene-butan-2-yl]amino]hexan-2-one Openeye Name: 5-methyl-3-[[1-[(5-nitro-2-pyridyl)methyl]-2-oxo-propyl]amino]hexan-2-one CAS Name: 5-methyl-3-[[1-(5-nitro-2-pyridinyl)-3-oxobutan-2-yl]amino]-2-hexanone IUPAC Name: 5-methyl-3-[[1-(5-nitropyridin-2-yl)-3-oxobutan-2-yl]amino]hexan-2-one Traditional Name: 3-[[2-keto-1-[(5-nitro-2-pyridyl)methyl]propyl]amino]-5-methyl-hexan-2-one Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=NC=C(C=C1)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=NC=C(C=C1)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C16H23N3O4/c1-10(2)7-15(11(3)20)18-16(12(4)21)8-13-5-6-14(9-17-13)19(22)23/h5-6,9-10,15-16,18H,7-8H2,1-4H3