4-[[4-[6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-1H-benzimidazol-2-yl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-1H-benzimidazol-2-yl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[6-[(4-oxido-4-oxo-butanoyl)amino]-1H-benzimidazol-2-yl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[6-[(4-oxido-1,4-dioxobutyl)amino]-1H-benzimidazol-2-yl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[6-[(4-oxido-4-oxobutanoyl)amino]-1H-benzimidazol-2-yl]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[6-[(4-keto-4-oxido-butanoyl)amino]-1H-benzimidazol-2-yl]anilino]butyrate Formula: C21H18N4O6-2 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)CCC(=O)[O-])NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)CCC(=O)[O-])NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H20N4O6/c26-17(7-9-19(28)29)22-13-3-1-12(2-4-13)21-24-15-6-5-14(11-16(15)25-21)23-18(27)8-10-20(30)31/h1-6,11H,7-10H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H,30,31)/p-2