methyl (2S)-2-[(5-chloranyl-2-nitro-phenyl)carbonyl-[(3-methoxyphenyl)methyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(5-chloranyl-2-nitro-phenyl)carbonyl-[(3-methoxyphenyl)methyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(5-chloro-2-nitro-benzoyl)-[(3-methoxyphenyl)methyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(5-chloro-2-nitrophenyl)-oxomethyl]-[(3-methoxyphenyl)methyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-chloro-2-nitrobenzoyl)-[(3-methoxyphenyl)methyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[(5-chloro-2-nitro-benzoyl)-m-anisyl-amino]-3-methyl-butyric acid methyl ester Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=CC(=CC=C1)OC)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC1=CC(=CC=C1)OC)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN2O6/c1-13(2)19(21(26)30-4)23(12-14-6-5-7-16(10-14)29-3)20(25)17-11-15(22)8-9-18(17)24(27)28/h5-11,13,19H,12H2,1-4H3/t19-/m0/s1