2-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-nitro-phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-nitro-phenyl]amino]benzoic acid Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)-2-nitro-anilino]benzoic acid CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)-2-nitroanilino]benzoic acid IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)-2-nitroanilino]benzoic acid Traditional Name: 2-(2-nitro-4-phthalimido-anilino)benzoic acid Formula: C21H13N3O6 MolecularWeight: 403.34442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC4=CC=CC=C4C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC4=CC=CC=C4C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O6/c25-19-13-5-1-2-6-14(13)20(26)23(19)12-9-10-17(18(11-12)24(29)30)22-16-8-4-3-7-15(16)21(27)28/h1-11,22H,(H,27,28)