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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate CAS Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate Traditional Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-4-5-15-7-9-19(20(10-15)27-3)28-13-21(24)29-12-18(23)16-8-6-14(2)17(11-16)22(25)26/h4-11H,12-13H2,1-3H3/b5-4+