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

Systemtic Name: methyl 2-[(2,4-dinitrophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(2,4-dinitrobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2,4-dinitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2,4-dinitrobenzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/c1-7(2)11(13(18)23-3)14-12(17)9-5-4-8(15(19)20)6-10(9)16(21)22/h4-7,11H,1-3H3,(H,14,17)