5-(2-chlorophenyl)-1,1,3-trimethyl-7-nitro-3-oxidanyl-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 5-(2-chlorophenyl)-1,1,3-trimethyl-7-nitro-3-oxidanyl-1,4-benzodiazepin-1-ium-2-one Openeye Name: 5-(2-chlorophenyl)-3-hydroxy-1,1,3-trimethyl-7-nitro-1,4-benzodiazepin-1-ium-2-one CAS Name: 5-(2-chlorophenyl)-3-hydroxy-1,1,3-trimethyl-7-nitro-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 5-(2-chlorophenyl)-3-hydroxy-1,1,3-trimethyl-7-nitro-1,4-benzodiazepin-1-ium-2-one Traditional Name: 5-(2-chlorophenyl)-3-hydroxy-1,1,3-trimethyl-7-nitro-1,4-benzodiazepin-1-ium-2-one Formula: C18H17ClN3O4+ MolecularWeight: 374.79828

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)[N+](C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)(C)C)O

Isomeric SMILES

CC1(C(=O)[N+](C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)(C)C)O

InChI

InChI=1S/C18H17ClN3O4/c1-18(24)17(23)22(2,3)15-9-8-11(21(25)26)10-13(15)16(20-18)12-6-4-5-7-14(12)19/h4-10,24H,1-3H3/q+1