2-chloranyl-N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(E)-(1,5-dimethylpyrazol-4-yl)methyleneamino]-4-nitro-benzamide CAS Name: 2-chloro-N-[(E)-(1,5-dimethyl-4-pyrazolyl)methylideneamino]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(E)-(1,5-dimethylpyrazol-4-yl)methyleneamino]-4-nitro-benzamide Formula: C13H12ClN5O3 MolecularWeight: 321.71908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C=NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=NN1C)/C=N/NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN5O3/c1-8-9(7-16-18(8)2)6-15-17-13(20)11-4-3-10(19(21)22)5-12(11)14/h3-7H,1-2H3,(H,17,20)/b15-6+