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

Systemtic Name: 7-bromanyl-4-(2-chloranyl-5-nitro-phenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(2-chloro-5-nitro-benzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[(2-chloro-5-nitrophenyl)-oxomethyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(2-chloro-5-nitrobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-(2-chloro-5-nitro-benzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C20H13BrClN3O4S MolecularWeight: 506.75692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrClN3O4S/c21-11-3-6-16-14(8-11)19(17-2-1-7-30-17)24(10-18(26)23-16)20(27)13-9-12(25(28)29)4-5-15(13)22/h1-9,19H,10H2,(H,23,26)