methyl 2-acetamido-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoate Openeye Name: methyl 2-acetamido-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxo-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoate CAS Name: 2-acetamido-3-[2-[(Z)-[3-(2-imidazolylidene)-5-oxo-4-pyrazolidinylidene]methyl]-1H-indol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[2-[(Z)-(3-imidazol-2-ylidene-5-oxopyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propanoate Traditional Name: 2-acetamido-3-[2-[(Z)-(3-imidazol-2-ylidene-5-keto-pyrazolidin-4-ylidene)methyl]-1H-indol-3-yl]propionic acid methyl ester Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(NC2=CC=CC=C21)C=C3C(=C4N=CC=N4)NNC3=O)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=C(NC2=CC=CC=C21)/C=C\3/C(=C4N=CC=N4)NNC3=O)C(=O)OC

InChI

InChI=1S/C21H20N6O4/c1-11(28)24-17(21(30)31-2)9-13-12-5-3-4-6-15(12)25-16(13)10-14-18(26-27-20(14)29)19-22-7-8-23-19/h3-8,10,17,25-26H,9H2,1-2H3,(H,24,28)(H,27,29)/b14-10-