3-[ethanoyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]amino]benzoic acid

Systemtic Name: 3-[ethanoyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]amino]benzoic acid Openeye Name: 3-[acetyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]amino]benzoic acid CAS Name: 3-[acetyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]amino]benzoic acid IUPAC Name: 3-[acetyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid Traditional Name: 3-[acetyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]amino]benzoic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)N(CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H13N3O7/c1-10(22)19(12-4-2-3-11(7-12)18(25)26)9-20-16(23)14-6-5-13(21(27)28)8-15(14)17(20)24/h2-8H,9H2,1H3,(H,25,26)