[4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]phenyl]-pyrrolidino-methanone Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)N2CCCC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)N2CCCC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O3/c1-22(14-17-12-18(24(26)27)8-9-19(17)21)13-15-4-6-16(7-5-15)20(25)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3