2-(8-methyl-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(8-methyl-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(8-methyl-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(8-methyl-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(8-methyl-5-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(8-methyl-5-nitro-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)C)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)C)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C17H20N2O5/c1-3-7-17(9-13(20)21)16-11(6-8-24-17)14-12(19(22)23)5-4-10(2)15(14)18-16/h4-5,18H,3,6-9H2,1-2H3,(H,20,21)