4-[2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl]butylcarbamic acid

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl]butylcarbamic acid Openeye Name: 4-(2,5-dioxo-3,4-diphenyl-pyrrol-1-yl)butylcarbamic acid CAS Name: 4-(2,5-dioxo-3,4-diphenyl-1-pyrrolyl)butylcarbamic acid IUPAC Name: 4-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)butylcarbamic acid Traditional Name: 4-(2,5-diketo-3,4-diphenyl-3-pyrrolin-1-yl)butylcarbamic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C2=O)CCCCNC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C2=O)CCCCNC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c24-19-17(15-9-3-1-4-10-15)18(16-11-5-2-6-12-16)20(25)23(19)14-8-7-13-22-21(26)27/h1-6,9-12,22H,7-8,13-14H2,(H,26,27)