methyl 2-[4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(5-nitro-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]ethanoate Openeye Name: methyl 2-[4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]phenoxy]acetate CAS Name: 2-[4-[(4-anilino-5-nitro-2-pyrimidinyl)amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-anilino-5-nitropyrimidin-2-yl)amino]phenoxy]acetate Traditional Name: 2-[4-[(4-anilino-5-nitro-pyrimidin-2-yl)amino]phenoxy]acetic acid methyl ester Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

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