methyl 3-[4-[2-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-[2-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[2-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]-3-oxo-propanoate CAS Name: 3-[4-[2-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-[2-nitro-3-(4-propylpiperidino)phenoxy]phenyl]propionic acid methyl ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C(=CC=C2)OC3=CC=C(C=C3)C(=O)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C(=CC=C2)OC3=CC=C(C=C3)C(=O)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O6/c1-3-5-17-12-14-25(15-13-17)20-6-4-7-22(24(20)26(29)30)32-19-10-8-18(9-11-19)21(27)16-23(28)31-2/h4,6-11,17H,3,5,12-16H2,1-2H3