4-butoxy-N-(4-methylphenyl)-N-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzamide

Systemtic Name: 4-butoxy-N-(4-methylphenyl)-N-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-N-(p-tolyl)benzamide CAS Name: 4-butoxy-N-(4-methylphenyl)-N-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]benzamide IUPAC Name: 4-butoxy-N-(4-methylphenyl)-N-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]benzamide Traditional Name: 4-butoxy-N-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-N-(p-tolyl)benzamide Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O6/c1-3-4-15-36-22-12-7-19(8-13-22)25(31)28(20-9-5-18(2)6-10-20)17-29-26(32)23-14-11-21(30(34)35)16-24(23)27(29)33/h5-14,16H,3-4,15,17H2,1-2H3