[4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(2-methyl-4-nitro-phenoxy)ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(2-methyl-4-nitro-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(2-methyl-4-nitro-phenoxy)acetate CAS Name: 2-(2-methyl-4-nitrophenoxy)acetic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 2-(2-methyl-4-nitrophenoxy)acetate Traditional Name: 2-(2-methyl-4-nitro-phenoxy)acetic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C)OC)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C)OC)/C#N

InChI

InChI=1S/C23H23N3O7/c1-4-9-25-23(28)17(13-24)11-16-5-7-20(21(12-16)31-3)33-22(27)14-32-19-8-6-18(26(29)30)10-15(19)2/h5-8,10-12H,4,9,14H2,1-3H3,(H,25,28)/b17-11+