butyl 2-(aminomethyl)-3-nitro-benzoate

Systemtic Name: butyl 2-(aminomethyl)-3-nitro-benzoate Openeye Name: butyl 2-(aminomethyl)-3-nitro-benzoate CAS Name: 2-(aminomethyl)-3-nitrobenzoic acid butyl ester IUPAC Name: butyl 2-(aminomethyl)-3-nitrobenzoate Traditional Name: 2-(aminomethyl)-3-nitro-benzoic acid butyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN

Isomeric SMILES

CCCCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN

InChI

InChI=1S/C12H16N2O4/c1-2-3-7-18-12(15)9-5-4-6-11(14(16)17)10(9)8-13/h4-6H,2-3,7-8,13H2,1H3