[2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid

Systemtic Name: [2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [2-keto-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid Formula: C17H12F3N3O3 MolecularWeight: 363.29069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2)NC(=O)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2)NC(=O)O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3/c18-17(19,20)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)21-15(24)14(22-13)23-16(25)26/h1-8,14,23H,(H,21,24)(H,25,26)