2-[bis[[2,5-bis(oxidanylidene)pyrrol-1-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-[bis[[2,5-bis(oxidanylidene)pyrrol-1-yl]carbonylamino]methyl]benzoic acid Openeye Name: 2-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]benzoic acid CAS Name: 2-[bis[[(2,5-dioxo-1-pyrrolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]benzoic acid Traditional Name: 2-[bis[(2,5-diketo-3-pyrroline-1-carbonyl)amino]methyl]benzoic acid Formula: C18H12N4O8 MolecularWeight: 412.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(NC(=O)N2C(=O)C=CC2=O)NC(=O)N3C(=O)C=CC3=O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(NC(=O)N2C(=O)C=CC2=O)NC(=O)N3C(=O)C=CC3=O)C(=O)O

InChI

InChI=1S/C18H12N4O8/c23-11-5-6-12(24)21(11)17(29)19-15(9-3-1-2-4-10(9)16(27)28)20-18(30)22-13(25)7-8-14(22)26/h1-8,15H,(H,19,29)(H,20,30)(H,27,28)