phenacyl (2S)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: phenacyl (2S)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: phenacyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methylpentanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-valeric acid phenacyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8/c1-13(2)8-18(21(27)32-12-19(25)14-6-4-3-5-7-14)22-20(26)15-9-16(23(28)29)11-17(10-15)24(30)31/h3-7,9-11,13,18H,8,12H2,1-2H3,(H,22,26)/t18-/m0/s1