2-[carboxymethyl-[2-[(3-cyano-4-methyl-1H-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[(3-cyano-4-methyl-1H-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[(3-cyano-4-methyl-1H-pyrrol-2-yl)amino]-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-[(3-cyano-4-methyl-1H-pyrrol-2-yl)amino]-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[(3-cyano-4-methyl-1H-pyrrol-2-yl)amino]-2-oxoethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[(3-cyano-4-methyl-1H-pyrrol-2-yl)amino]-2-keto-ethyl]amino]acetic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C#N)NC(=O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CNC(=C1C#N)NC(=O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H14N4O5/c1-7-3-14-12(8(7)2-13)15-9(17)4-16(5-10(18)19)6-11(20)21/h3,14H,4-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)