4-(prop-2-enoylamino)butyl 3,5-dinitro-2-[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name: 4-(prop-2-enoylamino)butyl 3,5-dinitro-2-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: 4-(prop-2-enoylamino)butyl 3,5-dinitro-2-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 3,5-dinitro-2-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid 4-(1-oxoprop-2-enylamino)butyl ester IUPAC Name: 4-(prop-2-enoylamino)butyl 3,5-dinitro-2-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 2-(4-acrylamidobutoxy)-3,5-dinitro-benzoic acid 4-acrylamidobutyl ester Formula: C21H26N4O9 MolecularWeight: 478.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=C(C=C1C(=O)OCCCCNC(=O)C=C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C(C=C1C(=O)OCCCCNC(=O)C=C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O9/c1-3-18(26)22-9-5-7-11-33-20-16(13-15(24(29)30)14-17(20)25(31)32)21(28)34-12-8-6-10-23-19(27)4-2/h3-4,13-14H,1-2,5-12H2,(H,22,26)(H,23,27)