[1-[(3,5-dinitrophenyl)carbonylamino]-2,2-dimethyl-pent-4-enyl]phosphonic acid

Systemtic Name: [1-[(3,5-dinitrophenyl)carbonylamino]-2,2-dimethyl-pent-4-enyl]phosphonic acid Openeye Name: [1-[(3,5-dinitrobenzoyl)amino]-2,2-dimethyl-pent-4-enyl]phosphonic acid CAS Name: [1-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2,2-dimethylpent-4-enyl]phosphonic acid IUPAC Name: [1-[(3,5-dinitrobenzoyl)amino]-2,2-dimethylpent-4-enyl]phosphonic acid Traditional Name: [1-[(3,5-dinitrobenzoyl)amino]-2,2-dimethyl-pent-4-enyl]phosphonic acid Formula: C14H18N3O8P MolecularWeight: 387.281781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N3O8P/c1-4-5-14(2,3)13(26(23,24)25)15-12(18)9-6-10(16(19)20)8-11(7-9)17(21)22/h4,6-8,13H,1,5H2,2-3H3,(H,15,18)(H2,23,24,25)