[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: [4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazino]methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-15(2)29-18-6-4-5-16(13-18)21(25)23-11-9-22(10-12-23)19-8-7-17(28-3)14-20(19)24(26)27/h4-8,13-15H,9-12H2,1-3H3