N-(4-methyl-2-nitro-phenyl)-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-(4-nitropyrazol-1-yl)propionamide Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-8-3-4-11(12(5-8)18(22)23)15-13(19)9(2)16-7-10(6-14-16)17(20)21/h3-7,9H,1-2H3,(H,15,19)