N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-(2-chloranylphenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-(2-chloranylphenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C19H22ClN7O5 MolecularWeight: 463.87488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCCOC3=CC=CC=C3Cl)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCCOC3=CC=CC=C3Cl)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C19H22ClN7O5/c20-12-4-1-2-6-14(12)32-9-7-22-17-16(27(30)31)18(25-11-24-17)26-8-3-5-13(26)19(29)23-10-15(21)28/h1-2,4,6,11,13H,3,5,7-10H2,(H2,21,28)(H,23,29)(H,22,24,25)