3-[(2,3-dimethyl-5-nitro-6-phenoxy-pyridin-4-yl)amino]butanoate

Systemtic Name: 3-[(2,3-dimethyl-5-nitro-6-phenoxy-pyridin-4-yl)amino]butanoate Openeye Name: 3-[(2,3-dimethyl-5-nitro-6-phenoxy-4-pyridyl)amino]butanoate CAS Name: 3-[(2,3-dimethyl-5-nitro-6-phenoxy-4-pyridinyl)amino]butanoate IUPAC Name: 3-[(2,3-dimethyl-5-nitro-6-phenoxypyridin-4-yl)amino]butanoate Traditional Name: 3-[(2,3-dimethyl-5-nitro-6-phenoxy-4-pyridyl)amino]butyrate Formula: C17H18N3O5- MolecularWeight: 344.34192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C)OC2=CC=CC=C2)[N+](=O)[O-])NC(C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N=C1C)OC2=CC=CC=C2)[N+](=O)[O-])NC(C)CC(=O)[O-]

InChI

InChI=1S/C17H19N3O5/c1-10(9-14(21)22)18-15-11(2)12(3)19-17(16(15)20(23)24)25-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,18,19)(H,21,22)/p-1