(4-nitrophenyl)methyl 2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-4-28-18-11-7-16(8-12-18)20(24)22-19(14(2)3)21(25)29-13-15-5-9-17(10-6-15)23(26)27/h5-12,14,19H,4,13H2,1-3H3,(H,22,24)