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

Systemtic Name: 2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid Openeye Name: 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid CAS Name: 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid IUPAC Name: 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid Traditional Name: 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)malonic acid Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O4/c19-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)20-9-14(21-13)15(17(22)23)18(24)25/h1-8,21H,9H2,(H,22,23)(H,24,25)