N-(2-chloranyl-5-nitro-phenyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C13H12ClN5O6 MolecularWeight: 369.71728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN5O6/c1-25-13-11(19(23)24)7-17(16-13)5-4-12(20)15-10-6-8(18(21)22)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,20)