2-methyl-1-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-anilino-3-nitro-benzoyl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(4-anilino-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(4-anilino-3-nitro-benzoyl)piperazino]-2-methyl-propan-1-one Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-15(2)20(26)23-10-12-24(13-11-23)21(27)16-8-9-18(19(14-16)25(28)29)22-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13H2,1-2H3