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

Systemtic Name: 1-(ethylsulfonylmethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(ethylsulfonylmethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(ethylsulfonylmethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(ethylsulfonylmethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(esylmethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C18H17N3O5S MolecularWeight: 387.40968

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-2-27(25,26)12-20-16-9-8-14(21(23)24)10-15(16)18(19-11-17(20)22)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3