(2E)-2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitroso-ethanoic acid

Systemtic Name: (2E)-2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitroso-ethanoic acid Openeye Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitroso-acetic acid CAS Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitrosoacetic acid IUPAC Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitrosoacetic acid Traditional Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)-2-nitroso-acetic acid Formula: C17H12ClN3O3 MolecularWeight: 341.74848

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)O)N=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

Isomeric SMILES

C1/C(=C(/C(=O)O)\N=O)/NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C17H12ClN3O3/c18-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19-9-14(20-13)16(21-24)17(22)23/h1-8,20H,9H2,(H,22,23)/b16-14+