[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O5/c1-5-30-21-13-17(19(25(27)28)14-20(21)29-4)22(26)24-11-9-23(10-12-24)18-8-6-7-15(2)16(18)3/h6-8,13-14H,5,9-12H2,1-4H3