(4-nitrophenyl) 3,5-dinitro-N-propan-2-yl-benzenecarboximidate

Systemtic Name: (4-nitrophenyl) 3,5-dinitro-N-propan-2-yl-benzenecarboximidate Openeye Name: (4-nitrophenyl) N-isopropyl-3,5-dinitro-benzenecarboximidate CAS Name: 3,5-dinitro-N-propan-2-ylbenzenecarboximidic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3,5-dinitro-N-propan-2-ylbenzenecarboximidate Traditional Name: N-isopropyl-3,5-dinitro-benzenecarboximidic acid (4-nitrophenyl) ester Formula: C16H14N4O7 MolecularWeight: 374.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N=C(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O7/c1-10(2)17-16(27-15-5-3-12(4-6-15)18(21)22)11-7-13(19(23)24)9-14(8-11)20(25)26/h3-10H,1-2H3