3-[9-bromanyl-7-methoxy-2,8-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[9-bromanyl-7-methoxy-2,8-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-(9-bromo-7-methoxy-2,8-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(9-bromo-7-methoxy-2,8-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(9-bromo-7-methoxy-2,8-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(9-bromo-2,8-diketo-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C17H12BrN3O3 MolecularWeight: 386.19948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NCC(=O)NC2=C(C1=O)Br)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC2=C(NCC(=O)NC2=C(C1=O)Br)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12BrN3O3/c1-24-12-6-11-15(10-4-2-3-9(5-10)7-19)20-8-13(22)21-16(11)14(18)17(12)23/h2-6,20H,8H2,1H3,(H,21,22)