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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c24-19(11-10-15-6-5-7-16(14-15)23(27)28)29-13-4-3-12-22-20(25)17-8-1-2-9-18(17)21(22)26/h1-2,5-11,14H,3-4,12-13H2/b11-10+