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

Systemtic Name: ethyl 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]ethyl]amino]benzoate Openeye Name: ethyl 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]ethyl]amino]benzoate CAS Name: 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate Traditional Name: 4-[[(1Z)-1-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]ethyl]amino]benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C)/C

InChI

InChI=1S/C21H20N4O5/c1-4-30-21(27)15-5-7-16(8-6-15)22-13(2)19-14(3)23-24(20(19)26)17-9-11-18(12-10-17)25(28)29/h5-12,22H,4H2,1-3H3/b19-13-