3-nitro-N-[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H25N3O5/c1-14-10-15(2)16(3)19(11-14)29-9-5-8-22-20(25)13-23-21(26)17-6-4-7-18(12-17)24(27)28/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,22,25)(H,23,26)