methyl 3-nitro-4-(2-pyridin-2-ylethylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(2-pyridin-2-ylethylamino)benzoate Openeye Name: methyl 3-nitro-4-[2-(2-pyridyl)ethylamino]benzoate CAS Name: 3-nitro-4-[2-(2-pyridinyl)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(2-pyridin-2-ylethylamino)benzoate Traditional Name: 3-nitro-4-[2-(2-pyridyl)ethylamino]benzoic acid methyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4/c1-22-15(19)11-5-6-13(14(10-11)18(20)21)17-9-7-12-4-2-3-8-16-12/h2-6,8,10,17H,7,9H2,1H3