methyl 2-[(2-ethoxypyridin-3-yl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(2-ethoxypyridin-3-yl)methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[(2-ethoxy-3-pyridyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-ethoxy-3-pyridinyl)methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxypyridin-3-yl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-ethoxy-3-pyridyl)methylamino]-5-nitro-benzoic acid methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O5/c1-3-24-15-11(5-4-8-17-15)10-18-14-7-6-12(19(21)22)9-13(14)16(20)23-2/h4-9,18H,3,10H2,1-2H3