5-[2-(4-nitrophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(4-nitrophenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-(4-nitrophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[2-(4-nitrophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-(4-nitrophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[2-(4-nitrophenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c24-20-10-9-16(12-17(20)21(25)26)22-18-4-2-1-3-14(18)11-19(22)13-5-7-15(8-6-13)23(27)28/h5-12,24H,1-4H2,(H,25,26)