3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-nitro-benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-nitrobenzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-nitro-benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H23N5O7 MolecularWeight: 457.43662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O7/c1-33-21(30)25-9-7-24(8-10-25)17-5-4-14(11-18(17)26(31)32)20(29)23-16(12-19(27)28)15-3-2-6-22-13-15/h2-6,11,13,16H,7-10,12H2,1H3,(H,23,29)(H,27,28)