O1-methyl O5-prop-2-enyl (2E)-4-(4-nitrophenyl)-2-(phenylmethylidene)pentanedioate

Systemtic Name: O1-methyl O5-prop-2-enyl (2E)-4-(4-nitrophenyl)-2-(phenylmethylidene)pentanedioate Openeye Name: O1-allyl O5-methyl (4E)-4-benzylidene-2-(4-nitrophenyl)pentanedioate CAS Name: (2E)-4-(4-nitrophenyl)-2-(phenylmethylene)pentanedioic acid O1-methyl ester O5-prop-2-enyl ester IUPAC Name: 1-O-methyl 5-O-prop-2-enyl (2E)-2-benzylidene-4-(4-nitrophenyl)pentanedioate Traditional Name: (4E)-4-benzal-2-(4-nitrophenyl)glutaric acid O1-allyl ester O5-methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-3-13-29-22(25)20(17-9-11-19(12-10-17)23(26)27)15-18(21(24)28-2)14-16-7-5-4-6-8-16/h3-12,14,20H,1,13,15H2,2H3/b18-14+