N-[4-[4-nitro-3-[4-(prop-2-enoylamino)butoxy]phenoxy]butyl]prop-2-enamide

Systemtic Name: N-[4-[4-nitro-3-[4-(prop-2-enoylamino)butoxy]phenoxy]butyl]prop-2-enamide Openeye Name: N-[4-[4-nitro-3-[4-(prop-2-enoylamino)butoxy]phenoxy]butyl]prop-2-enamide CAS Name: N-[4-[4-nitro-3-[4-(1-oxoprop-2-enylamino)butoxy]phenoxy]butyl]-2-propenamide IUPAC Name: N-[4-[4-nitro-3-[4-(prop-2-enoylamino)butoxy]phenoxy]butyl]prop-2-enamide Traditional Name: N-[4-[3-(4-acrylamidobutoxy)-4-nitro-phenoxy]butyl]acrylamide Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])OCCCCNC(=O)C=C

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])OCCCCNC(=O)C=C

InChI

InChI=1S/C20H27N3O6/c1-3-19(24)21-11-5-7-13-28-16-9-10-17(23(26)27)18(15-16)29-14-8-6-12-22-20(25)4-2/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,21,24)(H,22,25)