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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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