9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-5-[2,2,2-tris(fluoranyl)ethanoyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-5-[2,2,2-tris(fluoranyl)ethanoyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-6-[5-(3-nitrophenyl)-2-furyl]-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-6-[5-(3-nitrophenyl)-2-furanyl]-5-(2,2,2-trifluoro-1-oxoethyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-[5-(3-nitrophenyl)furan-2-yl]-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-6-[5-(3-nitrophenyl)-2-furyl]-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H22F3N3O5 MolecularWeight: 525.47589

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C27H22F3N3O5/c1-26(2)13-18-23(20(34)14-26)24(22-11-10-21(38-22)15-6-5-7-16(12-15)33(36)37)32(25(35)27(28,29)30)19-9-4-3-8-17(19)31-18/h3-12,24,31H,13-14H2,1-2H3