2-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-anilino-3,5-dinitro-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(4-anilino-3,5-dinitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-anilino-3,5-dinitrobenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-anilino-3,5-dinitro-benzoyl)amino]-3-methyl-butyric acid Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7/c1-10(2)15(18(24)25)20-17(23)11-8-13(21(26)27)16(14(9-11)22(28)29)19-12-6-4-3-5-7-12/h3-10,15,19H,1-2H3,(H,20,23)(H,24,25)