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

Systemtic Name: 4-[[(7-chloranyl-6-nitro-quinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(7-chloro-6-nitro-4-quinazolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(7-chloro-6-nitroquinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzoic acid Formula: C16H11ClN4O4 MolecularWeight: 358.73594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C16H11ClN4O4/c17-12-6-13-11(5-14(12)21(24)25)15(20-8-19-13)18-7-9-1-3-10(4-2-9)16(22)23/h1-6,8H,7H2,(H,22,23)(H,18,19,20)