methyl 3-nitro-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O7/c1-30-19(25)14-10-13(11-17(12-14)23(28)29)18(24)21-8-6-20(7-9-21)15-2-4-16(5-3-15)22(26)27/h2-5,10-12H,6-9H2,1H3