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

Systemtic Name: methyl (2S)-2-azanyl-3-[4-[4-[(3-nitropyridin-2-yl)amino]phenoxy]phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[4-[4-[(3-nitro-2-pyridyl)amino]phenoxy]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[4-[(3-nitro-2-pyridinyl)amino]phenoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[4-[4-[(3-nitropyridin-2-yl)amino]phenoxy]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[4-[(3-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=C(C=CC=N3)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=CC=N3)[N+](=O)[O-])N

InChI

InChI=1S/C21H20N4O5/c1-29-21(26)18(22)13-14-4-8-16(9-5-14)30-17-10-6-15(7-11-17)24-20-19(25(27)28)3-2-12-23-20/h2-12,18H,13,22H2,1H3,(H,23,24)/t18-/m0/s1