(5Z)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-nitroso-5-(1H-pyridin-2-ylidene)-1,4-benzodiazepin-2-one

Systemtic Name: (5Z)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-nitroso-5-(1H-pyridin-2-ylidene)-1,4-benzodiazepin-2-one Openeye Name: (5Z)-1-(3,3-dimethyl-2-oxo-butyl)-3-nitroso-5-(1H-pyridin-2-ylidene)-1,4-benzodiazepin-2-one CAS Name: (5Z)-1-(3,3-dimethyl-2-oxobutyl)-3-nitroso-5-(1H-pyridin-2-ylidene)-1,4-benzodiazepin-2-one IUPAC Name: (5Z)-1-(3,3-dimethyl-2-oxobutyl)-3-nitroso-5-(1H-pyridin-2-ylidene)-1,4-benzodiazepin-2-one Traditional Name: (5Z)-1-(2-keto-3,3-dimethyl-butyl)-3-nitroso-5-(1H-pyridin-2-ylidene)-1,4-benzodiazepin-2-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=C3C=CC=CN3)N=C(C1=O)N=O

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2/C(=C/3\C=CC=CN3)/N=C(C1=O)N=O

InChI

InChI=1S/C20H20N4O3/c1-20(2,3)16(25)12-24-15-10-5-4-8-13(15)17(14-9-6-7-11-21-14)22-18(23-27)19(24)26/h4-11,21H,12H2,1-3H3/b17-14-