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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H15N3O7/c23-16(20-10-11-1-3-12(4-2-11)19(26)27)7-8-21-17(24)14-6-5-13(22(28)29)9-15(14)18(21)25/h1-6,9H,7-8,10H2,(H,20,23)(H,26,27)