4-[[3-(3-nitrocarbazol-9-yl)-2-oxidanyl-propyl]amino]benzoic acid

Systemtic Name: 4-[[3-(3-nitrocarbazol-9-yl)-2-oxidanyl-propyl]amino]benzoic acid Openeye Name: 4-[[2-hydroxy-3-(3-nitrocarbazol-9-yl)propyl]amino]benzoic acid CAS Name: 4-[[2-hydroxy-3-(3-nitro-9-carbazolyl)propyl]amino]benzoic acid IUPAC Name: 4-[[2-hydroxy-3-(3-nitrocarbazol-9-yl)propyl]amino]benzoic acid Traditional Name: 4-[[2-hydroxy-3-(3-nitrocarbazol-9-yl)propyl]amino]benzoic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2CC(CNC4=CC=C(C=C4)C(=O)O)O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2CC(CNC4=CC=C(C=C4)C(=O)O)O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5/c26-17(12-23-15-7-5-14(6-8-15)22(27)28)13-24-20-4-2-1-3-18(20)19-11-16(25(29)30)9-10-21(19)24/h1-11,17,23,26H,12-13H2,(H,27,28)