4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid 4-phthalimidobutyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c24-19(12-11-15-7-1-4-10-18(15)23(27)28)29-14-6-5-13-22-20(25)16-8-2-3-9-17(16)21(22)26/h1-4,7-12H,5-6,13-14H2/b12-11+