2-[[[(2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2S)-3-methyl-2-(p-anisoylamino)butanoyl]amino]methyl]-4-nitro-phenolate Formula: C20H22N3O6- MolecularWeight: 400.40518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H23N3O6/c1-12(2)18(22-19(25)13-4-7-16(29-3)8-5-13)20(26)21-11-14-10-15(23(27)28)6-9-17(14)24/h4-10,12,18,24H,11H2,1-3H3,(H,21,26)(H,22,25)/p-1/t18-/m0/s1