methyl (2S,3S)-2-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[4-(dimethylamino)-3-nitro-benzoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[4-(dimethylamino)-3-nitrobenzoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[4-(dimethylamino)-3-nitro-benzoyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-6-10(2)14(16(21)24-5)17-15(20)11-7-8-12(18(3)4)13(9-11)19(22)23/h7-10,14H,6H2,1-5H3,(H,17,20)/t10-,14-/m0/s1