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

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-valeric acid methyl ester Formula: C14H17N3O7 MolecularWeight: 339.30068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O7/c1-8(2)4-12(14(19)24-3)15-13(18)9-5-10(16(20)21)7-11(6-9)17(22)23/h5-8,12H,4H2,1-3H3,(H,15,18)