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

Systemtic Name: [[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl pentanoate Openeye Name: [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C18H25ClN4O6 MolecularWeight: 428.8673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O6/c1-4-6-7-17(24)28-13-29-18(25)21(3)16(12-23(26)27)22(5-2)11-14-8-9-15(19)20-10-14/h8-10,12H,4-7,11,13H2,1-3H3/b16-12-