4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[[6-nitro-7-(1-piperazinyl)-4-quinazolinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-nitro-7-piperazin-1-ylquinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-nitro-7-piperazino-quinazolin-4-yl)amino]methyl]benzoic acid Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4/c27-20(28)14-3-1-13(2-4-14)11-22-19-15-9-18(26(29)30)17(10-16(15)23-12-24-19)25-7-5-21-6-8-25/h1-4,9-10,12,21H,5-8,11H2,(H,27,28)(H,22,23,24)