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

Systemtic Name: 1-(2-methylbutyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(2-methylbutyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2-methylbutyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2-methylbutyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(2-methylbutyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-3-14(2)13-22-18-10-9-16(23(25)26)11-17(18)20(21-12-19(22)24)15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3