N-(4-methyl-2-nitro-phenyl)-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(4-methyl-2-nitrophenyl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-3-(3-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)CCN2C=CC(=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-9-2-3-10(11(8-9)17(20)21)14-13(19)5-7-16-6-4-12(15-16)18(22)23/h2-4,6,8H,5,7H2,1H3,(H,14,19)