2-[[4-[[4-(carboxycarbonylamino)-2-cyano-phenyl]carbamoyl]phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-[[4-(carboxycarbonylamino)-2-cyano-phenyl]carbamoyl]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[[2-cyano-4-(oxaloamino)phenyl]carbamoyl]anilino]-2-oxo-acetic acid CAS Name: 2-[4-[[2-cyano-4-(oxaloamino)anilino]-oxomethyl]anilino]-2-oxoacetic acid IUPAC Name: 2-[4-[[2-cyano-4-(oxaloamino)phenyl]carbamoyl]anilino]-2-oxoacetic acid Traditional Name: 2-[4-[[2-cyano-4-(oxaloamino)phenyl]carbamoyl]anilino]-2-keto-acetic acid Formula: C18H12N4O7 MolecularWeight: 396.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C(=O)O)C#N)NC(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C(=O)O)C#N)NC(=O)C(=O)O

InChI

InChI=1S/C18H12N4O7/c19-8-10-7-12(21-16(25)18(28)29)5-6-13(10)22-14(23)9-1-3-11(4-2-9)20-15(24)17(26)27/h1-7H,(H,20,24)(H,21,25)(H,22,23)(H,26,27)(H,28,29)