ethyl 4-[[(3-nitropyridin-4-yl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(3-nitropyridin-4-yl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(3-nitro-4-pyridyl)amino]methyl]benzoate CAS Name: 4-[[(3-nitro-4-pyridinyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-nitropyridin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(3-nitro-4-pyridyl)amino]methyl]benzoic acid ethyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2=C(C=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2=C(C=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4/c1-2-22-15(19)12-5-3-11(4-6-12)9-17-13-7-8-16-10-14(13)18(20)21/h3-8,10H,2,9H2,1H3,(H,16,17)