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

Systemtic Name: [[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl tetradecanoate Openeye Name: [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl tetradecanoate CAS Name: tetradecanoic 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 tetradecanoate Traditional Name: myristic acid [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C27H43ClN4O6 MolecularWeight: 555.10652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43ClN4O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-26(33)37-22-38-27(34)30(3)25(21-32(35)36)31(5-2)20-23-17-18-24(28)29-19-23/h17-19,21H,4-16,20,22H2,1-3H3/b25-21-