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

Systemtic Name: N-[4-[[3-nitro-4-[4-(prop-2-enoylamino)butoxy]phenyl]amino]butyl]prop-2-enamide Openeye Name: N-[4-[3-nitro-4-[4-(prop-2-enoylamino)butoxy]anilino]butyl]prop-2-enamide CAS Name: N-[4-[3-nitro-4-[4-(1-oxoprop-2-enylamino)butoxy]anilino]butyl]-2-propenamide IUPAC Name: N-[4-[3-nitro-4-[4-(prop-2-enoylamino)butoxy]anilino]butyl]prop-2-enamide Traditional Name: N-[4-[4-(4-acrylamidobutoxy)-3-nitro-anilino]butyl]acrylamide Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCNC1=CC(=C(C=C1)OCCCCNC(=O)C=C)[N+](=O)[O-]

Isomeric SMILES

C=CC(=O)NCCCCNC1=CC(=C(C=C1)OCCCCNC(=O)C=C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O5/c1-3-19(25)22-12-6-5-11-21-16-9-10-18(17(15-16)24(27)28)29-14-8-7-13-23-20(26)4-2/h3-4,9-10,15,21H,1-2,5-8,11-14H2,(H,22,25)(H,23,26)