[4-[4-[4-(acetyloxymethyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]carbonyl-2-nitro-phenyl]methyl ethanoate

Systemtic Name: [4-[4-[4-(acetyloxymethyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]carbonyl-2-nitro-phenyl]methyl ethanoate Openeye Name: [4-[4-[4-(acetoxymethyl)-3-nitro-benzoyl]piperazine-1-carbonyl]-2-nitro-phenyl]methyl acetate CAS Name: acetic acid [4-[[4-[[4-(acetyloxymethyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-oxomethyl]-2-nitrophenyl]methyl ester IUPAC Name: [4-[4-[4-(acetyloxymethyl)-3-nitrobenzoyl]piperazine-1-carbonyl]-2-nitrophenyl]methyl acetate Traditional Name: acetic acid [4-[4-[4-(acetoxymethyl)-3-nitro-benzoyl]piperazine-1-carbonyl]-2-nitro-benzyl] ester Formula: C24H24N4O10 MolecularWeight: 528.46816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)COC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)COC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O10/c1-15(29)37-13-19-5-3-17(11-21(19)27(33)34)23(31)25-7-9-26(10-8-25)24(32)18-4-6-20(14-38-16(2)30)22(12-18)28(35)36/h3-6,11-12H,7-10,13-14H2,1-2H3