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

Systemtic Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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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)CCO)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4/c1-19(2)18(25)22(9-10-24)16-8-7-12(23(26)27)11-14(16)17(21-19)13-5-3-4-6-15(13)20/h3-8,11,24H,9-10H2,1-2H3