1-(4-chloranyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one Formula: C15H12ClN3O5S MolecularWeight: 381.79088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2C(=O)N1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2C(=O)N1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN3O5S/c16-12-6-5-10(9-14(12)19(21)22)25(23,24)18-8-7-17-15(20)11-3-1-2-4-13(11)18/h1-6,9H,7-8H2,(H,17,20)