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

Systemtic Name: 4-[[6-[(4-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-bromoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H12BrN5O4 MolecularWeight: 430.21228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN5O4/c18-11-3-7-13(8-4-11)22-16-14(23(26)27)15(19-9-20-16)21-12-5-1-10(2-6-12)17(24)25/h1-9H,(H,24,25)(H2,19,20,21,22)