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

Systemtic Name: 2-[5-cyano-1-(3-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-1-(3-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-1-(3-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-1-(3-nitrophenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-1-(3-nitrophenyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C3=C(C=CC=C3N2)C#N)(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC(C2=C1C3=C(C=CC=C3N2)C#N)(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5/c21-11-12-3-1-6-16-18(12)15-7-8-28-20(10-17(24)25,19(15)22-16)13-4-2-5-14(9-13)23(26)27/h1-6,9,22H,7-8,10H2,(H,24,25)