[5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-pentanoyloxy-phenyl] pentanoate

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-pentanoyloxy-phenyl] pentanoate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-3-nitro-2-pentanoyloxy-phenyl] pentanoate CAS Name: pentanoic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitro-2-(1-oxopentoxy)phenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitro-2-pentanoyloxyphenyl] pentanoate Traditional Name: valeric acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-3-nitro-2-valeryloxy-phenyl] ester Formula: C24H31N3O7 MolecularWeight: 473.51884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCC)[N+](=O)[O-])C=C(C#N)C(=O)N(CC)CC

Isomeric SMILES

CCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCC)[N+](=O)[O-])/C=C(\C#N)/C(=O)N(CC)CC

InChI

InChI=1S/C24H31N3O7/c1-5-9-11-21(28)33-20-15-17(13-18(16-25)24(30)26(7-3)8-4)14-19(27(31)32)23(20)34-22(29)12-10-6-2/h13-15H,5-12H2,1-4H3/b18-13+