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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

InChI

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