methyl 3-[4-(3-azanyl-3-oxidanylidene-propyl)-6-(2-nitrophenyl)pyridazin-3-yl]benzoate

Systemtic Name: methyl 3-[4-(3-azanyl-3-oxidanylidene-propyl)-6-(2-nitrophenyl)pyridazin-3-yl]benzoate Openeye Name: methyl 3-[4-(3-amino-3-oxo-propyl)-6-(2-nitrophenyl)pyridazin-3-yl]benzoate CAS Name: 3-[4-(3-amino-3-oxopropyl)-6-(2-nitrophenyl)-3-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-amino-3-oxopropyl)-6-(2-nitrophenyl)pyridazin-3-yl]benzoate Traditional Name: 3-[4-(3-amino-3-keto-propyl)-6-(2-nitrophenyl)pyridazin-3-yl]benzoic acid methyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=NN=C(C=C2CCC(=O)N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=NN=C(C=C2CCC(=O)N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5/c1-30-21(27)15-6-4-5-13(11-15)20-14(9-10-19(22)26)12-17(23-24-20)16-7-2-3-8-18(16)25(28)29/h2-8,11-12H,9-10H2,1H3,(H2,22,26)