[5-(4-bromophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamic acid

Systemtic Name: [5-(4-bromophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [5-(4-bromophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [5-(4-bromophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [5-(4-bromophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [5-(4-bromophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O3/c1-21-13-5-3-2-4-12(13)14(10-6-8-11(18)9-7-10)19-15(16(21)22)20-17(23)24/h2-9,15,20H,1H3,(H,23,24)