(4-chlorophenyl)-[4-[3-(2-methoxyethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[4-[3-(2-methoxyethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-[3-(2-methoxyethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[3-(2-methoxyethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-[3-(2-methoxyethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-[3-(2-methoxyethylamino)-4-nitro-phenyl]piperazino]methanone Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O4/c1-29-13-8-22-18-14-17(6-7-19(18)25(27)28)23-9-11-24(12-10-23)20(26)15-2-4-16(21)5-3-15/h2-7,14,22H,8-13H2,1H3