ethyl 4-[2-[3-(4-nitrophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(4-nitrophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(4-nitrophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(4-nitrophenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[6-keto-3-(4-nitrophenyl)pyridazin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6/c1-2-31-21(28)15-3-7-16(8-4-15)22-19(26)13-24-20(27)12-11-18(23-24)14-5-9-17(10-6-14)25(29)30/h3-12H,2,13H2,1H3,(H,22,26)