1-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]ethanone Openeye Name: 1-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]-3-pyrrolyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(3-nitrobenzyl)pyrrol-3-yl]ethanone Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C15H16N2O3/c1-10-7-15(12(3)18)11(2)16(10)9-13-5-4-6-14(8-13)17(19)20/h4-8H,9H2,1-3H3