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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic 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] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-4-9-24-21(26)17(13-23)10-15-6-8-19(20(11-15)30-3)31-22(27)16-7-5-14(2)18(12-16)25(28)29/h5-8,10-12H,4,9H2,1-3H3,(H,24,26)/b17-10+