1-[4-(3-cyanophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[4-(3-cyanophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-2-carboxylic acid CAS Name: 1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-(3-cyanophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-2-carboxylic acid Formula: C21H14N4O3 MolecularWeight: 370.36086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3C(=O)O)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3C(=O)O)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H14N4O3/c22-12-13-3-1-4-14(9-13)17-11-20(26)24-18-10-15(6-7-16(18)23-17)25-8-2-5-19(25)21(27)28/h1-10H,11H2,(H,24,26)(H,27,28)