[[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl 4-tert-butylbenzoate

Systemtic Name: [[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl 4-tert-butylbenzoate Openeye Name: [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C24H29ClN4O6 MolecularWeight: 504.96326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])N(C)C(=O)OCOC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN(CC1=CN=C(C=C1)Cl)/C(=C\[N+](=O)[O-])/N(C)C(=O)OCOC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H29ClN4O6/c1-6-28(14-17-7-12-20(25)26-13-17)21(15-29(32)33)27(5)23(31)35-16-34-22(30)18-8-10-19(11-9-18)24(2,3)4/h7-13,15H,6,14,16H2,1-5H3/b21-15-