(2,4-dinitrophenyl) 2-[2-[(butoxycarbonylamino)methyl]phenyl]ethanoate

Systemtic Name: (2,4-dinitrophenyl) 2-[2-[(butoxycarbonylamino)methyl]phenyl]ethanoate Openeye Name: (2,4-dinitrophenyl) 2-[2-[(butoxycarbonylamino)methyl]phenyl]acetate CAS Name: 2-[2-[[[butoxy(oxo)methyl]amino]methyl]phenyl]acetic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 2-[2-[(butoxycarbonylamino)methyl]phenyl]acetate Traditional Name: 2-[2-[(butoxycarbonylamino)methyl]phenyl]acetic acid (2,4-dinitrophenyl) ester Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NCC1=CC=CC=C1CC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)NCC1=CC=CC=C1CC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8/c1-2-3-10-30-20(25)21-13-15-7-5-4-6-14(15)11-19(24)31-18-9-8-16(22(26)27)12-17(18)23(28)29/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,25)