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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [5-(1,3-benzodioxol-5-yl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(C(=O)NC4=CC=CC=C43)NC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(C(=O)NC4=CC=CC=C43)NC(=O)O

InChI

InChI=1S/C17H13N3O5/c21-16-15(20-17(22)23)19-14(10-3-1-2-4-11(10)18-16)9-5-6-12-13(7-9)25-8-24-12/h1-7,15,20H,8H2,(H,18,21)(H,22,23)