N-(3,4-dimethylphenyl)-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(3,4-dimethylphenyl)-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(3,4-dimethylphenyl)-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(3,4-dimethylphenyl)-4-(4-nitropyrazol-1-yl)butyramide Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N4O3/c1-11-5-6-13(8-12(11)2)17-15(20)4-3-7-18-10-14(9-16-18)19(21)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,20)