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

Systemtic Name: [[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl dodecanoate Openeye Name: [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl dodecanoate CAS Name: dodecanoic 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 dodecanoate Traditional Name: lauric acid [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C25H39ClN4O6 MolecularWeight: 527.05336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39ClN4O6/c1-4-6-7-8-9-10-11-12-13-14-24(31)35-20-36-25(32)28(3)23(19-30(33)34)29(5-2)18-21-15-16-22(26)27-17-21/h15-17,19H,4-14,18,20H2,1-3H3/b23-19-