(3S)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]-3-(4-propoxyphenyl)propanoate

Systemtic Name: (3S)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]-3-(4-propoxyphenyl)propanoate Openeye Name: (3S)-3-[(2-methyl-3-nitro-benzoyl)amino]-3-(4-propoxyphenyl)propanoate CAS Name: (3S)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-3-(4-propoxyphenyl)propanoate IUPAC Name: (3S)-3-[(2-methyl-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate Traditional Name: (3S)-3-[(2-methyl-3-nitro-benzoyl)amino]-3-(4-propoxyphenyl)propionate Formula: C20H21N2O6- MolecularWeight: 385.39054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O6/c1-3-11-28-15-9-7-14(8-10-15)17(12-19(23)24)21-20(25)16-5-4-6-18(13(16)2)22(26)27/h4-10,17H,3,11-12H2,1-2H3,(H,21,25)(H,23,24)/p-1/t17-/m0/s1