2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-7-carboxy-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-7-carboxy-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-7-carboxy-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-7-carboxy-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-7-carboxy-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-(7-carboxy-4-homopiperonyl-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Formula: C21H19N2O7- MolecularWeight: 411.38476

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)O)NC(C(=O)N1CCC3=CC4=C(C=C3)OCO4)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)O)NC(C(=O)N1CCC3=CC4=C(C=C3)OCO4)CC(=O)[O-]

InChI

InChI=1S/C21H20N2O7/c24-19(25)9-16-20(26)23(6-5-12-1-4-17-18(7-12)30-11-29-17)10-14-8-13(21(27)28)2-3-15(14)22-16/h1-4,7-8,16,22H,5-6,9-11H2,(H,24,25)(H,27,28)/p-1