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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC(C)C)OC)[N+](=O)[O-]

InChI

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