3-[[8-bromanyl-4-(2-chlorophenyl)-6-methyl-1,3-bis(oxidanylidene)pyrrolo[3,4-e]indol-7-yl]carbonylamino]propylcarbamic acid

Systemtic Name: 3-[[8-bromanyl-4-(2-chlorophenyl)-6-methyl-1,3-bis(oxidanylidene)pyrrolo[3,4-e]indol-7-yl]carbonylamino]propylcarbamic acid Openeye Name: 3-[[8-bromo-4-(2-chlorophenyl)-6-methyl-1,3-dioxo-pyrrolo[3,4-e]indole-7-carbonyl]amino]propylcarbamic acid CAS Name: 3-[[[8-bromo-4-(2-chlorophenyl)-6-methyl-1,3-dioxo-7-pyrrolo[3,4-e]indolyl]-oxomethyl]amino]propylcarbamic acid IUPAC Name: 3-[[8-bromo-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbonyl]amino]propylcarbamic acid Traditional Name: 3-[[8-bromo-4-(2-chlorophenyl)-1,3-diketo-6-methyl-pyrrol[3,4-e]indole-7-carbonyl]amino]propylcarbamic acid Formula: C22H18BrClN4O5 MolecularWeight: 533.75912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C3=C(C(=C2)C4=CC=CC=C4Cl)C(=O)NC3=O)C(=C1C(=O)NCCCNC(=O)O)Br

Isomeric SMILES

CN1C2=C(C3=C(C(=C2)C4=CC=CC=C4Cl)C(=O)NC3=O)C(=C1C(=O)NCCCNC(=O)O)Br

InChI

InChI=1S/C22H18BrClN4O5/c1-28-13-9-11(10-5-2-3-6-12(10)24)14-16(20(30)27-19(14)29)15(13)17(23)18(28)21(31)25-7-4-8-26-22(32)33/h2-3,5-6,9,26H,4,7-8H2,1H3,(H,25,31)(H,32,33)(H,27,29,30)