methyl (2S)-2-azanyl-3-[4-[4-[(5-nitropyridin-2-yl)amino]phenoxy]phenyl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[4-[4-[(5-nitropyridin-2-yl)amino]phenoxy]phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[4-[4-[(5-nitro-2-pyridyl)amino]phenoxy]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[4-[(5-nitro-2-pyridinyl)amino]phenoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[4-[4-[(5-nitropyridin-2-yl)amino]phenoxy]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[4-[(5-nitro-2-pyridyl)amino]phenoxy]phenyl]propionic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H20N4O5/c1-29-21(26)19(22)12-14-2-7-17(8-3-14)30-18-9-4-15(5-10-18)24-20-11-6-16(13-23-20)25(27)28/h2-11,13,19H,12,22H2,1H3,(H,23,24)/t19-/m0/s1