ethyl 2-azanyl-6-butyl-4-nitro-benzoate

Systemtic Name: ethyl 2-azanyl-6-butyl-4-nitro-benzoate Openeye Name: ethyl 2-amino-6-butyl-4-nitro-benzoate CAS Name: 2-amino-6-butyl-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-amino-6-butyl-4-nitrobenzoate Traditional Name: 2-amino-6-butyl-4-nitro-benzoic acid ethyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1C(=O)OCC)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=CC(=C1C(=O)OCC)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-3-5-6-9-7-10(15(17)18)8-11(14)12(9)13(16)19-4-2/h7-8H,3-6,14H2,1-2H3