3-(5-methyl-2-nitro-phenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-(5-methyl-2-nitro-phenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(5-methyl-2-nitro-phenoxy)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 3-(5-methyl-2-nitrophenoxy)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 3-(5-methyl-2-nitrophenoxy)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-(5-methyl-2-nitro-phenoxy)propionamide Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C19H21N5O5/c1-13-2-4-15(24(27)28)16(10-13)29-9-6-18(25)22-14-3-5-17(21-11-14)23-8-7-20-19(26)12-23/h2-5,10-11H,6-9,12H2,1H3,(H,20,26)(H,22,25)