3-[[3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(4-benzoylpiperazin-1-yl)-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-(4-benzoyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(4-benzoylpiperazin-1-yl)-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-benzoylpiperazino)-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C25H24N4O6S MolecularWeight: 508.54626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O6S/c30-23(31)16-19(22-7-4-14-36-22)26-24(32)18-8-9-20(21(15-18)29(34)35)27-10-12-28(13-11-27)25(33)17-5-2-1-3-6-17/h1-9,14-15,19H,10-13,16H2,(H,26,32)(H,30,31)