ethyl 4-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]ethyl]amino]benzoate

Systemtic Name: ethyl 4-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]ethyl]amino]benzoate Openeye Name: ethyl 4-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]ethyl]amino]benzoate CAS Name: 4-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-propyl-4-pyrazolylidene]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-propylpyrazol-4-ylidene]ethyl]amino]benzoate Traditional Name: 4-[[(1Z)-1-[5-keto-1-(4-nitrophenyl)-3-propyl-2-pyrazolin-4-ylidene]ethyl]amino]benzoic acid ethyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=CC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5/c1-4-6-20-21(15(3)24-17-9-7-16(8-10-17)23(29)32-5-2)22(28)26(25-20)18-11-13-19(14-12-18)27(30)31/h7-14,24H,4-6H2,1-3H3/b21-15-