3-methyl-4-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]-3-methyl-benzoic acid Formula: C19H15N3O7 MolecularWeight: 397.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c1-10-8-11(19(26)27)2-5-15(10)20-16(23)6-7-21-17(24)13-4-3-12(22(28)29)9-14(13)18(21)25/h2-5,8-9H,6-7H2,1H3,(H,20,23)(H,26,27)