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

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

Isomeric SMILES

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

InChI

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