1-ethyl-4-nitro-N-[(4-pyrrol-1-ylphenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-4-nitro-N-[(4-pyrrol-1-ylphenyl)methyl]pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-nitro-N-[(4-pyrrol-1-ylphenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-ethyl-4-nitro-N-[[4-(1-pyrrolyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-nitro-N-[(4-pyrrol-1-ylphenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-nitro-N-(4-pyrrol-1-ylbenzyl)pyrazole-3-carboxamide Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-2-21-12-15(22(24)25)16(19-21)17(23)18-11-13-5-7-14(8-6-13)20-9-3-4-10-20/h3-10,12H,2,11H2,1H3,(H,18,23)