2-azanyl-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxo-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[2-[(Z)-[3-(2-imidazolylidene)-5-oxo-4-pyrazolidinylidene]methyl]-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxopyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[2-[(Z)-(3-imidazol-2-ylidene-5-keto-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propionic acid Formula: C18H16N6O3 MolecularWeight: 364.35804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C=C3C(=C4N=CC=N4)NNC3=O)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)/C=C\3/C(=C4N=CC=N4)NNC3=O)CC(C(=O)O)N

InChI

InChI=1S/C18H16N6O3/c19-12(18(26)27)7-10-9-3-1-2-4-13(9)22-14(10)8-11-15(23-24-17(11)25)16-20-5-6-21-16/h1-6,8,12,22-23H,7,19H2,(H,24,25)(H,26,27)/b11-8-