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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C13H13ClN4O3 MolecularWeight: 308.72032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN4O3/c1-9-11(14)3-2-4-12(9)16-13(19)5-6-17-8-10(7-15-17)18(20)21/h2-4,7-8H,5-6H2,1H3,(H,16,19)