2-[1,3-benzodioxol-5-ylmethyl-(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[6-nitro-7-(1-piperazinyl)-4-quinazolinyl]amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(6-nitro-7-piperazin-1-ylquinazolin-4-yl)amino]acetic acid Traditional Name: 2-[(6-nitro-7-piperazino-quinazolin-4-yl)-piperonyl-amino]acetic acid Formula: C22H22N6O6 MolecularWeight: 466.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3N(CC4=CC5=C(C=C4)OCO5)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3N(CC4=CC5=C(C=C4)OCO5)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O6/c29-21(30)11-27(10-14-1-2-19-20(7-14)34-13-33-19)22-15-8-18(28(31)32)17(9-16(15)24-12-25-22)26-5-3-23-4-6-26/h1-2,7-9,12,23H,3-6,10-11,13H2,(H,29,30)