1-[1-[(4-chloranyl-2-nitro-phenyl)methyl]pyrrol-2-yl]ethanone; N-methyl-1-phenyl-methanamine

Systemtic Name: 1-[1-[(4-chloranyl-2-nitro-phenyl)methyl]pyrrol-2-yl]ethanone; N-methyl-1-phenyl-methanamine Openeye Name: 1-[1-[(4-chloro-2-nitro-phenyl)methyl]pyrrol-2-yl]ethanone; N-methyl-1-phenyl-methanamine CAS Name: 1-[1-[(4-chloro-2-nitrophenyl)methyl]-2-pyrrolyl]ethanone; N-methyl-1-phenylmethanamine IUPAC Name: 1-[1-[(4-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]ethanone; N-methyl-1-phenylmethanamine Traditional Name: benzyl(methyl)amine; 1-[1-(4-chloro-2-nitro-benzyl)pyrrol-2-yl]ethanone Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O3.C8H11N/c1-9(17)12-3-2-6-15(12)8-10-4-5-11(14)7-13(10)16(18)19;1-9-7-8-5-3-2-4-6-8/h2-7H,8H2,1H3;2-6,9H,7H2,1H3