2-[4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]ethanoic acid Openeye Name: 2-[4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]phenoxy]acetic acid CAS Name: 2-[4-[(4-anilino-5-nitro-2-pyrimidinyl)amino]phenoxy]acetic acid IUPAC Name: 2-[4-[(4-anilino-5-nitropyrimidin-2-yl)amino]phenoxy]acetic acid Traditional Name: 2-[4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]phenoxy]acetic acid Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)