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

Systemtic Name: 4-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(diphenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(benzhydrylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C24H19N5O4 MolecularWeight: 441.43876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19N5O4/c30-24(31)18-11-13-19(14-12-18)27-22-21(29(32)33)23(26-15-25-22)28-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,20H,(H,30,31)(H2,25,26,27,28)