(2R)-2-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]propanamide

Systemtic Name: (2R)-2-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]propanamide Openeye Name: (2R)-2-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]propanamide CAS Name: (2R)-2-(4-nitro-1-pyrazolyl)-N-[[4-(1-pyrrolyl)phenyl]methyl]propanamide IUPAC Name: (2R)-2-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]propanamide Traditional Name: (2R)-2-(4-nitropyrazol-1-yl)-N-(4-pyrrol-1-ylbenzyl)propionamide Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)N2C=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)N2C=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-13(21-12-16(11-19-21)22(24)25)17(23)18-10-14-4-6-15(7-5-14)20-8-2-3-9-20/h2-9,11-13H,10H2,1H3,(H,18,23)/t13-/m1/s1