N-(4-aminocarbonylphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(4-aminocarbonylphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(4-carbamoylphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(4-carbamoylphenyl)-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4-carbamoylphenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-carbamoylphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-12-18(25(28)29)13(2)24(23-12)11-15-5-3-4-6-17(15)20(27)22-16-9-7-14(8-10-16)19(21)26/h3-10H,11H2,1-2H3,(H2,21,26)(H,22,27)