4-[3-[(4-nitro-2-oxidanyl-phenyl)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[3-[(4-nitro-2-oxidanyl-phenyl)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(2-hydroxy-4-nitro-anilino)-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-(2-hydroxy-4-nitroanilino)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-(2-hydroxy-4-nitroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(2-hydroxy-4-nitro-anilino)-2,5-diketo-pyrrolidino]benzoic acid Formula: C17H13N3O7 MolecularWeight: 371.30102

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13N3O7/c21-14-7-11(20(26)27)5-6-12(14)18-13-8-15(22)19(16(13)23)10-3-1-9(2-4-10)17(24)25/h1-7,13,18,21H,8H2,(H,24,25)