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

Systemtic Name: [[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl octanoate Openeye Name: [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl octanoate CAS Name: octanoic 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 octanoate Traditional Name: caprylic acid [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C21H31ClN4O6 MolecularWeight: 470.94704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O6/c1-4-6-7-8-9-10-20(27)31-16-32-21(28)24(3)19(15-26(29)30)25(5-2)14-17-11-12-18(22)23-13-17/h11-13,15H,4-10,14,16H2,1-3H3/b19-15-