4-[[1,3,3,5-tetramethyl-2,4-bis(oxidanylidene)-1,5-benzodiazepin-7-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[1,3,3,5-tetramethyl-2,4-bis(oxidanylidene)-1,5-benzodiazepin-7-yl]carbamoyl]benzoic acid Openeye Name: 4-[(1,3,3,5-tetramethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)carbamoyl]benzoic acid CAS Name: 4-[oxo-[(1,3,3,5-tetramethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)amino]methyl]benzoic acid IUPAC Name: 4-[(1,3,3,5-tetramethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)carbamoyl]benzoic acid Traditional Name: 4-[(2,4-diketo-1,3,3,5-tetramethyl-1,5-benzodiazepin-7-yl)carbamoyl]benzoic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)N(C1=O)C)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)N(C1=O)C)C)C

InChI

InChI=1S/C21H21N3O5/c1-21(2)19(28)23(3)15-10-9-14(11-16(15)24(4)20(21)29)22-17(25)12-5-7-13(8-6-12)18(26)27/h5-11H,1-4H3,(H,22,25)(H,26,27)