N-(2-azanylethyl)-1-(3-fluorophenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-fluorophenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-(5-nitrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-fluorophenyl)-oxomethyl]-3-[(5-nitro-2-furanyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-(5-nitrofuran-2-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-(5-nitro-2-furoyl)hexahydropyrimidine-2-carboxamide Formula: C19H20FN5O6 MolecularWeight: 433.390403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H20FN5O6/c20-13-4-1-3-12(11-13)18(27)23-9-2-10-24(17(23)16(26)22-8-7-21)19(28)14-5-6-15(31-14)25(29)30/h1,3-6,11,17H,2,7-10,21H2,(H,22,26)