N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide Traditional Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C26H23N5O7 MolecularWeight: 517.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O7/c1-17-25(26(33)29(28(17)2)19-6-4-3-5-7-19)27-24(32)13-10-18-8-11-22(12-9-18)38-23-15-20(30(34)35)14-21(16-23)31(36)37/h3-9,11-12,14-16H,10,13H2,1-2H3,(H,27,32)