[4-(2-chloroethyl)piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-(2-chloroethyl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(2-chloroethyl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(2-chloroethyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(2-chloroethyl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(2-chloroethyl)piperazino]-(3-nitrophenyl)methanone Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCl)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCl)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O3/c14-4-5-15-6-8-16(9-7-15)13(18)11-2-1-3-12(10-11)17(19)20/h1-3,10H,4-9H2