2-azanyl-3-[4-(cyanoamino)phenyl]-2-methyl-propanoic acid hydrate

Systemtic Name: 2-azanyl-3-[4-(cyanoamino)phenyl]-2-methyl-propanoic acid hydrate Openeye Name: 2-amino-3-[4-(cyanoamino)phenyl]-2-methyl-propanoic acid hydrate CAS Name: 2-amino-3-[4-(cyanoamino)phenyl]-2-methylpropanoic acid hydrate IUPAC Name: 2-amino-3-[4-(cyanoamino)phenyl]-2-methylpropanoic acid hydrate Traditional Name: 2-amino-3-[4-(cyanoamino)phenyl]-2-methyl-propionic acid hydrate Formula: C11H15N3O3 MolecularWeight: 237.2551

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)NC#N)(C(=O)O)N.O

Isomeric SMILES

CC(CC1=CC=C(C=C1)NC#N)(C(=O)O)N.O

InChI

InChI=1S/C11H13N3O2.H2O/c1-11(13,10(15)16)6-8-2-4-9(5-3-8)14-7-12;/h2-5,14H,6,13H2,1H3,(H,15,16);1H2