4-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H14ClN5O4 MolecularWeight: 399.78786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C18H14ClN5O4/c19-13-5-1-11(2-6-13)9-20-16-15(24(27)28)17(22-10-21-16)23-14-7-3-12(4-8-14)18(25)26/h1-8,10H,9H2,(H,25,26)(H2,20,21,22,23)