4-[[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(3-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(=C1)Br)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

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