2-azanyl-2-[(4-chloranyl-1H-indol-3-yl)methyl]propanedioic acid

Systemtic Name: 2-azanyl-2-[(4-chloranyl-1H-indol-3-yl)methyl]propanedioic acid Openeye Name: 2-amino-2-[(4-chloro-1H-indol-3-yl)methyl]propanedioic acid CAS Name: 2-amino-2-[(4-chloro-1H-indol-3-yl)methyl]propanedioic acid IUPAC Name: 2-amino-2-[(4-chloro-1H-indol-3-yl)methyl]propanedioic acid Traditional Name: 2-amino-2-[(4-chloro-1H-indol-3-yl)methyl]malonic acid Formula: C12H11ClN2O4 MolecularWeight: 282.67974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C(=CN2)CC(C(=O)O)(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C(=CN2)CC(C(=O)O)(C(=O)O)N

InChI

InChI=1S/C12H11ClN2O4/c13-7-2-1-3-8-9(7)6(5-15-8)4-12(14,10(16)17)11(18)19/h1-3,5,15H,4,14H2,(H,16,17)(H,18,19)