N-[3-acetamido-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-phenyl]ethanamide

Systemtic Name: N-[3-acetamido-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-phenyl]ethanamide Openeye Name: N-[3-acetamido-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide CAS Name: N-[3-acetamido-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-acetamido-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C21H23N5O5/c1-14(27)22-17-11-16(12-18(13-17)23-15(2)28)21(29)25-9-7-24(8-10-25)19-3-5-20(6-4-19)26(30)31/h3-6,11-13H,7-10H2,1-2H3,(H,22,27)(H,23,28)