N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-14-20(15(2)25(24-14)17-7-5-4-6-8-17)23-21(27)16-9-10-18(22-11-12-30-3)19(13-16)26(28)29/h4-10,13,22H,11-12H2,1-3H3,(H,23,27)