2-methyl-4-[(3-nitrophenyl)carbonylamino]-5-propyl-pyrazole-3-carboxamide

Systemtic Name: 2-methyl-4-[(3-nitrophenyl)carbonylamino]-5-propyl-pyrazole-3-carboxamide Openeye Name: 2-methyl-4-[(3-nitrobenzoyl)amino]-5-propyl-pyrazole-3-carboxamide CAS Name: 2-methyl-4-[[(3-nitrophenyl)-oxomethyl]amino]-5-propyl-3-pyrazolecarboxamide IUPAC Name: 2-methyl-4-[(3-nitrobenzoyl)amino]-5-propylpyrazole-3-carboxamide Traditional Name: 2-methyl-4-[(3-nitrobenzoyl)amino]-5-propyl-pyrazole-3-carboxamide Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N)C

Isomeric SMILES

CCCC1=NN(C(=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N)C

InChI

InChI=1S/C15H17N5O4/c1-3-5-11-12(13(14(16)21)19(2)18-11)17-15(22)9-6-4-7-10(8-9)20(23)24/h4,6-8H,3,5H2,1-2H3,(H2,16,21)(H,17,22)