4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-N-[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]butanamide

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-N-[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]butanamide Openeye Name: 4-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanamide CAS Name: 4-(2,5-dioxo-1-pyrrolyl)-N-[3-[3-(trifluoromethyl)-3-diazirinyl]phenyl]butanamide IUPAC Name: 4-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanamide Traditional Name: 4-maleimido-N-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butyramide Formula: C16H13F3N4O3 MolecularWeight: 366.29463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C=CC2=O)C3(N=N3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C=CC2=O)C3(N=N3)C(F)(F)F

InChI

InChI=1S/C16H13F3N4O3/c17-16(18,19)15(21-22-15)10-3-1-4-11(9-10)20-12(24)5-2-8-23-13(25)6-7-14(23)26/h1,3-4,6-7,9H,2,5,8H2,(H,20,24)