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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCCC2=CC=NC=C2)[N+](=O)[O-]

InChI

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