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

Systemtic Name: (3-nitrophenyl) (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-nitrophenyl) (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid (3-nitrophenyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-27-16-10-8-14(9-11-16)19(23)21-18(13(2)3)20(24)28-17-7-5-6-15(12-17)22(25)26/h5-13,18H,4H2,1-3H3,(H,21,23)/t18-/m0/s1