4-nitro-N-[(2S)-2-phenylbutyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-nitro-N-[(2S)-2-phenylbutyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-nitro-N-[(2S)-2-phenylbutyl]-1H-pyrrole-2-carboxamide CAS Name: 4-nitro-N-[(2S)-2-phenylbutyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-nitro-N-[(2S)-2-phenylbutyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-nitro-N-[(2S)-2-phenylbutyl]-1H-pyrrole-2-carboxamide Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=CN1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)C1=CC(=CN1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O3/c1-2-11(12-6-4-3-5-7-12)9-17-15(19)14-8-13(10-16-14)18(20)21/h3-8,10-11,16H,2,9H2,1H3,(H,17,19)/t11-/m1/s1