3-nitro-N'-(4-pent-2-ynoylphenyl)carbonyl-N-propan-2-yl-benzohydrazide

Systemtic Name: 3-nitro-N'-(4-pent-2-ynoylphenyl)carbonyl-N-propan-2-yl-benzohydrazide Openeye Name: N-isopropyl-3-nitro-N'-(4-pent-2-ynoylbenzoyl)benzohydrazide CAS Name: 3-nitro-N'-[oxo-[4-(1-oxopent-2-ynyl)phenyl]methyl]-N-propan-2-ylbenzohydrazide IUPAC Name: 3-nitro-N'-(4-pent-2-ynoylbenzoyl)-N-propan-2-ylbenzohydrazide Traditional Name: N-isopropyl-3-nitro-N'-(4-pent-2-ynoylbenzoyl)benzohydrazide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(=O)C1=CC=C(C=C1)C(=O)NN(C(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC#CC(=O)C1=CC=C(C=C1)C(=O)NN(C(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c1-4-5-9-20(26)16-10-12-17(13-11-16)21(27)23-24(15(2)3)22(28)18-7-6-8-19(14-18)25(29)30/h6-8,10-15H,4H2,1-3H3,(H,23,27)