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

Systemtic Name: 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N5O5/c1-29-15-8-2-12(3-9-15)10-20-17-16(24(27)28)18(22-11-21-17)23-14-6-4-13(5-7-14)19(25)26/h2-9,11H,10H2,1H3,(H,25,26)(H2,20,21,22,23)