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

Systemtic Name: octyl (2S)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: octyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methylpentanoic acid octyl ester IUPAC Name: octyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-valeric acid octyl ester Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O7/c1-4-5-6-7-8-9-10-31-21(26)19(11-15(2)3)22-20(25)16-12-17(23(27)28)14-18(13-16)24(29)30/h12-15,19H,4-11H2,1-3H3,(H,22,25)/t19-/m0/s1