ethyl 3-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidin-2-yl]propanoate

Systemtic Name: ethyl 3-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidin-2-yl]propanoate Openeye Name: ethyl 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]pyrrolidin-2-yl]propanoate CAS Name: 3-[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-2-pyrrolidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]pyrrolidin-2-yl]propanoate Traditional Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]pyrrolidin-2-yl]propionic acid ethyl ester Formula: C19H22ClN5O4 MolecularWeight: 419.86208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CCCN1C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CCC1CCCN1C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN5O4/c1-2-29-17(26)10-9-15-4-3-11-24(15)18-16(25(27)28)12-21-19(23-18)22-14-7-5-13(20)6-8-14/h5-8,12,15H,2-4,9-11H2,1H3,(H,21,22,23)