methyl 4-[7,7,10,10-tetramethyl-2,5-bis(oxidanylidene)-1,3,8,9-tetrahydrobenzo[h][1,4]benzodiazepin-4-yl]benzoate

Systemtic Name: methyl 4-[7,7,10,10-tetramethyl-2,5-bis(oxidanylidene)-1,3,8,9-tetrahydrobenzo[h][1,4]benzodiazepin-4-yl]benzoate Openeye Name: methyl 4-(7,7,10,10-tetramethyl-2,5-dioxo-1,3,8,9-tetrahydrobenzo[h][1,4]benzodiazepin-4-yl)benzoate CAS Name: 4-(7,7,10,10-tetramethyl-2,5-dioxo-1,3,8,9-tetrahydrobenzo[h][1,4]benzodiazepin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(7,7,10,10-tetramethyl-2,5-dioxo-1,3,8,9-tetrahydrobenzo[h][1,4]benzodiazepin-4-yl)benzoate Traditional Name: 4-(2,5-diketo-7,7,10,10-tetramethyl-1,3,8,9-tetrahydrobenzo[h][1,4]benzodiazepin-4-yl)benzoic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C3C(=C2)NC(=O)CN(C3=O)C4=CC=C(C=C4)C(=O)OC)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=C3C(=C2)NC(=O)CN(C3=O)C4=CC=C(C=C4)C(=O)OC)(C)C)C

InChI

InChI=1S/C25H28N2O4/c1-24(2)10-11-25(3,4)19-13-20-17(12-18(19)24)22(29)27(14-21(28)26-20)16-8-6-15(7-9-16)23(30)31-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,26,28)