N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-(4-nitrophenyl)carbonyl-imidazolidine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-(4-nitrophenyl)carbonyl-imidazolidine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-(4-nitrobenzoyl)imidazolidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-[(4-nitrophenyl)-oxomethyl]imidazolidine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-(4-nitrobenzoyl)imidazolidine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-3-(4-nitrobenzoyl)imidazolidine-1,2-dicarboxamide Formula: C20H21FN6O5 MolecularWeight: 444.416343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN6O5/c21-14-2-1-3-15(12-14)24-20(30)26-11-10-25(18(26)17(28)23-9-8-22)19(29)13-4-6-16(7-5-13)27(31)32/h1-7,12,18H,8-11,22H2,(H,23,28)(H,24,30)