2-chloranyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]-4-nitro-benzamide CAS Name: 2-chloro-N-[(E)-1-(5-methyl-3-nitro-1-pyrazolyl)propan-2-ylideneamino]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(E)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]-4-nitro-benzamide Formula: C14H13ClN6O5 MolecularWeight: 380.74322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6O5/c1-8(7-19-9(2)5-13(18-19)21(25)26)16-17-14(22)11-4-3-10(20(23)24)6-12(11)15/h3-6H,7H2,1-2H3,(H,17,22)/b16-8+