N-methyl-1-phenyl-methanamine; 1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanone

Systemtic Name: N-methyl-1-phenyl-methanamine; 1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanone Openeye Name: N-methyl-1-phenyl-methanamine; 1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanone CAS Name: N-methyl-1-phenylmethanamine; 1-[1-[(2-nitrophenyl)methyl]-2-pyrrolyl]ethanone IUPAC Name: N-methyl-1-phenylmethanamine; 1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanone Traditional Name: benzyl(methyl)amine; 1-[1-(2-nitrobenzyl)pyrrol-2-yl]ethanone Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CN1CC2=CC=CC=C2[N+](=O)[O-].CNCC1=CC=CC=C1

Isomeric SMILES

CC(=O)C1=CC=CN1CC2=CC=CC=C2[N+](=O)[O-].CNCC1=CC=CC=C1

InChI

InChI=1S/C13H12N2O3.C8H11N/c1-10(16)12-7-4-8-14(12)9-11-5-2-3-6-13(11)15(17)18;1-9-7-8-5-3-2-4-6-8/h2-8H,9H2,1H3;2-6,9H,7H2,1H3