2-azanyl-2-(3,5-dinitrophenyl)carbonyl-4-methyl-pentanoic acid

Systemtic Name: 2-azanyl-2-(3,5-dinitrophenyl)carbonyl-4-methyl-pentanoic acid Openeye Name: 2-amino-2-(3,5-dinitrobenzoyl)-4-methyl-pentanoic acid CAS Name: 2-amino-2-[(3,5-dinitrophenyl)-oxomethyl]-4-methylpentanoic acid IUPAC Name: 2-amino-2-(3,5-dinitrobenzoyl)-4-methylpentanoic acid Traditional Name: 2-amino-2-(3,5-dinitrobenzoyl)-4-methyl-valeric acid Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/c1-7(2)6-13(14,12(18)19)11(17)8-3-9(15(20)21)5-10(4-8)16(22)23/h3-5,7H,6,14H2,1-2H3,(H,18,19)