4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)benzoic acid

Systemtic Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)benzoic acid Openeye Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzoic acid CAS Name: 4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]benzoic acid IUPAC Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzoic acid Traditional Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzoic acid Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H16N2O3/c23-19(14-7-9-15(10-8-14)20(24)25)22-13-17-5-3-11-21(17)12-16-4-1-2-6-18(16)22/h1-11H,12-13H2,(H,24,25)