ethyl 2-nitro-3-(5-octoxy-1H-indol-3-yl)pentanoate

Systemtic Name: ethyl 2-nitro-3-(5-octoxy-1H-indol-3-yl)pentanoate Openeye Name: ethyl 2-nitro-3-(5-octoxy-1H-indol-3-yl)pentanoate CAS Name: 2-nitro-3-(5-octoxy-1H-indol-3-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-nitro-3-(5-octoxy-1H-indol-3-yl)pentanoate Traditional Name: 2-nitro-3-(5-octoxy-1H-indol-3-yl)valeric acid ethyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)NC=C2C(CC)C(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)NC=C2C(CC)C(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H34N2O5/c1-4-7-8-9-10-11-14-30-17-12-13-21-19(15-17)20(16-24-21)18(5-2)22(25(27)28)23(26)29-6-3/h12-13,15-16,18,22,24H,4-11,14H2,1-3H3