3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]propanamide

Systemtic Name: 3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]propanamide Openeye Name: 3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]propanamide CAS Name: 3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]propanamide IUPAC Name: 3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]propanamide Traditional Name: 3-(3-keto-5-methyl-3-pyrazolin-4-yl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]propionamide Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CCC(=O)NN=C(C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)NN1)CCC(=O)N/N=C(\C)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c1-9(11-3-5-12(6-4-11)20(23)24)16-18-14(21)8-7-13-10(2)17-19-15(13)22/h3-6H,7-8H2,1-2H3,(H,18,21)(H2,17,19,22)/b16-9+