4-(5-chloranyl-2-nitro-phenyl)carbonyl-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(5-chloranyl-2-nitro-phenyl)carbonyl-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(5-chloro-2-nitro-benzoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(5-chloro-2-nitrophenyl)-oxomethyl]-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(5-chloro-2-nitrobenzoyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(5-chloro-2-nitro-benzoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C20H13ClFN3O4S MolecularWeight: 445.851323

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H13ClFN3O4S/c21-11-3-6-16(25(28)29)14(8-11)20(27)24-10-18(26)23-15-5-4-12(22)9-13(15)19(24)17-2-1-7-30-17/h1-9,19H,10H2,(H,23,26)