methyl (2S,3S,4R)-2-[(4-bromophenyl)carbonylamino]-3-(4-methoxyphenyl)-4-nitro-pentanoate

Systemtic Name: methyl (2S,3S,4R)-2-[(4-bromophenyl)carbonylamino]-3-(4-methoxyphenyl)-4-nitro-pentanoate Openeye Name: methyl (2S,3S,4R)-2-[(4-bromobenzoyl)amino]-3-(4-methoxyphenyl)-4-nitro-pentanoate CAS Name: (2S,3S,4R)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)-4-nitropentanoic acid methyl ester IUPAC Name: methyl (2S,3S,4R)-2-[(4-bromobenzoyl)amino]-3-(4-methoxyphenyl)-4-nitropentanoate Traditional Name: (2S,3S,4R)-2-[(4-bromobenzoyl)amino]-3-(4-methoxyphenyl)-4-nitro-valeric acid methyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6/c1-12(23(26)27)17(13-6-10-16(28-2)11-7-13)18(20(25)29-3)22-19(24)14-4-8-15(21)9-5-14/h4-12,17-18H,1-3H3,(H,22,24)/t12-,17+,18+/m1/s1