methyl 4-[2-(6-azanyl-5-nitro-pyridin-2-yl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(6-azanyl-5-nitro-pyridin-2-yl)ethyl]benzoate Openeye Name: methyl 4-[2-(6-amino-5-nitro-2-pyridyl)ethyl]benzoate CAS Name: 4-[2-(6-amino-5-nitro-2-pyridinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-amino-5-nitropyridin-2-yl)ethyl]benzoate Traditional Name: 4-[2-(6-amino-5-nitro-2-pyridyl)ethyl]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)CCC2=NC(=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=NC(=C(C=C2)[N+](=O)[O-])N

InChI

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