4-[(2Z)-2-[3-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoate

Systemtic Name: 4-[(2Z)-2-[3-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoate Openeye Name: 4-[(2Z)-2-[3-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzoate CAS Name: 4-[(2Z)-2-[3-methyl-1-(4-morpholin-4-iumylmethyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzoate IUPAC Name: 4-[(2Z)-2-[3-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoate Traditional Name: 4-[(N'Z)-N'-[5-keto-3-methyl-1-(morpholin-4-ium-4-ylmethyl)-2-pyrazolin-4-ylidene]hydrazino]benzoate Formula: C16H19N5O4 MolecularWeight: 345.35316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C(=O)[O-])C[NH+]3CCOCC3

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)C(=O)[O-])C[NH+]3CCOCC3

InChI

InChI=1S/C16H19N5O4/c1-11-14(18-17-13-4-2-12(3-5-13)16(23)24)15(22)21(19-11)10-20-6-8-25-9-7-20/h2-5,17H,6-10H2,1H3,(H,23,24)/b18-14-