5-(2-chlorophenyl)-1-(ethylsulfonylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-chlorophenyl)-1-(ethylsulfonylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(ethylsulfonylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-1-(ethylsulfonylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-1-(ethylsulfonylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(esylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CCS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN3O5S/c1-2-28(26,27)11-21-16-8-7-12(22(24)25)9-14(16)18(20-10-17(21)23)13-5-3-4-6-15(13)19/h3-9H,2,10-11H2,1H3