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

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)carbonyl-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-chloro-3-nitro-benzoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-chloro-3-nitrophenyl)-oxomethyl]-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-chloro-3-nitrobenzoyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

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

InChI

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