1-butyl-5-(2-chlorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one

Systemtic Name: 1-butyl-5-(2-chlorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Openeye Name: 1-butyl-5-(2-chlorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one CAS Name: 1-butyl-5-(2-chlorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one IUPAC Name: 1-butyl-5-(2-chlorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Traditional Name: 1-butyl-5-(2-chlorophenyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)(C)C)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)(C)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O3/c1-4-5-12-24-18-11-10-14(25(27)28)13-16(18)19(23-21(2,3)20(24)26)15-8-6-7-9-17(15)22/h6-11,13H,4-5,12H2,1-3H3