4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-methyl-2-nitro-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-methyl-2-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O6/c1-13-7-6-10-16(17(13)22(26)27)20(25)28-12-5-4-11-21-18(23)14-8-2-3-9-15(14)19(21)24/h2-3,6-10H,4-5,11-12H2,1H3