propyl 4-[(2-methyl-2-nitro-propyl)amino]benzoate

Systemtic Name: propyl 4-[(2-methyl-2-nitro-propyl)amino]benzoate Openeye Name: propyl 4-[(2-methyl-2-nitro-propyl)amino]benzoate CAS Name: 4-[(2-methyl-2-nitropropyl)amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-methyl-2-nitropropyl)amino]benzoate Traditional Name: 4-[(2-methyl-2-nitro-propyl)amino]benzoic acid propyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCC(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NCC(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4/c1-4-9-20-13(17)11-5-7-12(8-6-11)15-10-14(2,3)16(18)19/h5-8,15H,4,9-10H2,1-3H3