3-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]propanoic acid Openeye Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]propanoic acid CAS Name: 3-[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-4-piperidinyl]propanoic acid IUPAC Name: 3-[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-4-yl]propanoic acid Traditional Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]propionic acid Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1CCC(=O)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN5O4/c19-13-2-4-14(5-3-13)21-18-20-11-15(24(27)28)17(22-18)23-9-7-12(8-10-23)1-6-16(25)26/h2-5,11-12H,1,6-10H2,(H,25,26)(H,20,21,22)