2-(6-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(6-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(6-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(6-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(6-nitro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(6-nitro-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H18N2O5/c1-2-6-16(9-14(19)20)15-11(5-7-23-16)12-8-10(18(21)22)3-4-13(12)17-15/h3-4,8,17H,2,5-7,9H2,1H3,(H,19,20)