2-[[(cyanoamino)-[(4-cyanophenyl)amino]methylidene]amino]butanedioic acid

Systemtic Name: 2-[[(cyanoamino)-[(4-cyanophenyl)amino]methylidene]amino]butanedioic acid Openeye Name: 2-[[(cyanoamino)-(4-cyanoanilino)methylene]amino]butanedioic acid CAS Name: 2-[[(cyanoamino)-(4-cyanoanilino)methylidene]amino]butanedioic acid IUPAC Name: 2-[[(cyanoamino)-(4-cyanoanilino)methylidene]amino]butanedioic acid Traditional Name: 2-[[(cyanoamino)-(4-cyanoanilino)methylene]amino]succinic acid Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4/c14-6-8-1-3-9(4-2-8)17-13(16-7-15)18-10(12(21)22)5-11(19)20/h1-4,10H,5H2,(H,19,20)(H,21,22)(H2,16,17,18)