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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid phthalimidomethyl ester Formula: C23H17N3O6 MolecularWeight: 431.39758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6/c27-21-17-8-4-5-9-18(17)22(28)25(21)14-32-23(29)16-10-11-19(20(12-16)26(30)31)24-13-15-6-2-1-3-7-15/h1-12,24H,13-14H2