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

Systemtic Name: 2-[[(cyanoamino)-[(4-methoxycarbonylphenyl)amino]methylidene]amino]butanedioic acid Openeye Name: 2-[[(cyanoamino)-(4-methoxycarbonylanilino)methylene]amino]butanedioic acid CAS Name: 2-[[(cyanoamino)-(4-methoxycarbonylanilino)methylidene]amino]butanedioic acid IUPAC Name: 2-[[(cyanoamino)-(4-methoxycarbonylanilino)methylidene]amino]butanedioic acid Traditional Name: 2-[[(4-carbomethoxyanilino)-(cyanoamino)methylene]amino]succinic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O6/c1-24-13(23)8-2-4-9(5-3-8)17-14(16-7-15)18-10(12(21)22)6-11(19)20/h2-5,10H,6H2,1H3,(H,19,20)(H,21,22)(H2,16,17,18)