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

Systemtic Name: 3-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 3-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 3-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 3-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]benzoic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O7/c22-14(19-11-4-1-3-10(9-11)18(25)26)7-8-20-16(23)12-5-2-6-13(21(27)28)15(12)17(20)24/h1-6,9H,7-8H2,(H,19,22)(H,25,26)