[[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl hexanoate

Systemtic Name: [[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl hexanoate Openeye Name: [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl hexanoate CAS Name: hexanoic acid [[[(E)-1-[(6-chloro-3-pyridinyl)methyl-ethylamino]-2-nitroethenyl]-methylamino]-oxomethoxy]methyl ester IUPAC Name: [[(E)-1-[(6-chloropyridin-3-yl)methyl-ethylamino]-2-nitroethenyl]-methylcarbamoyl]oxymethyl hexanoate Traditional Name: hexanoic acid [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C19H27ClN4O6 MolecularWeight: 442.89388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCOC(=O)N(C)C(=C[N+](=O)[O-])N(CC)CC1=CN=C(C=C1)Cl

Isomeric SMILES

CCCCCC(=O)OCOC(=O)N(C)/C(=C/[N+](=O)[O-])/N(CC)CC1=CN=C(C=C1)Cl

InChI

InChI=1S/C19H27ClN4O6/c1-4-6-7-8-18(25)29-14-30-19(26)22(3)17(13-24(27)28)23(5-2)12-15-9-10-16(20)21-11-15/h9-11,13H,4-8,12,14H2,1-3H3/b17-13-