methyl 3-(butylamino)-4-nitro-benzoate

Systemtic Name: methyl 3-(butylamino)-4-nitro-benzoate Openeye Name: methyl 3-(butylamino)-4-nitro-benzoate CAS Name: 3-(butylamino)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(butylamino)-4-nitrobenzoate Traditional Name: 3-(butylamino)-4-nitro-benzoic acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-3-4-7-13-10-8-9(12(15)18-2)5-6-11(10)14(16)17/h5-6,8,13H,3-4,7H2,1-2H3