[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O4/c1-3-28-18-9-7-17(8-10-18)15-22-11-13-23(14-12-22)21(25)19-5-4-6-20(16(19)2)24(26)27/h4-10H,3,11-15H2,1-2H3