methyl 3-[(5-nitrofuran-2-yl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(5-nitrofuran-2-yl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 3-[[(5-nitro-2-furanyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(5-nitro-2-furoyl)amino]benzoic acid methyl ester Formula: C24H24N4O6 MolecularWeight: 464.47056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O6/c1-33-24(30)18-7-8-20(19(15-18)25-23(29)21-9-10-22(34-21)28(31)32)27-13-11-26(12-14-27)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,25,29)