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

Systemtic Name: 4-chloranyl-2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 4-chloro-2-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 4-chloro-2-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 4-chloro-2-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]benzoic acid Formula: C18H12ClN3O7 MolecularWeight: 417.75678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C18H12ClN3O7/c19-9-1-3-12(18(26)27)14(7-9)20-15(23)5-6-21-16(24)11-4-2-10(22(28)29)8-13(11)17(21)25/h1-4,7-8H,5-6H2,(H,20,23)(H,26,27)