2-[5-bromanyl-1-(4-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-1-(4-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-1-(4-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-bromo-1-(4-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-bromo-1-(4-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-bromo-1-(4-nitrophenyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C19H15BrN2O5 MolecularWeight: 431.2368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C3=C(N2)C=CC=C3Br)(CC(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC(C2=C1C3=C(N2)C=CC=C3Br)(CC(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN2O5/c20-14-2-1-3-15-17(14)13-8-9-27-19(10-16(23)24,18(13)21-15)11-4-6-12(7-5-11)22(25)26/h1-7,21H,8-10H2,(H,23,24)