methyl 3-nitro-4-[4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoate

Systemtic Name: methyl 3-nitro-4-[4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoate Openeye Name: methyl 3-nitro-4-[4-[2-(3-nitrophenyl)-2-oxo-ethyl]piperazin-1-yl]benzoate CAS Name: 3-nitro-4-[4-[2-(3-nitrophenyl)-2-oxoethyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-[2-(3-nitrophenyl)-2-oxoethyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[2-keto-2-(3-nitrophenyl)ethyl]piperazino]-3-nitro-benzoic acid methyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O7/c1-31-20(26)15-5-6-17(18(12-15)24(29)30)22-9-7-21(8-10-22)13-19(25)14-3-2-4-16(11-14)23(27)28/h2-6,11-12H,7-10,13H2,1H3