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

Systemtic Name: methyl 4-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]ethyl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H22N4O5/c1-4-5-19-20(14(2)23-16-8-6-15(7-9-16)22(28)31-3)21(27)25(24-19)17-10-12-18(13-11-17)26(29)30/h6-13,23H,4-5H2,1-3H3/b20-14-