[[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino] N-methylcarbamate

Systemtic Name: [[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino] N-methylcarbamate Openeye Name: [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] N-methylcarbamate CAS Name: N-methylcarbamic acid [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] ester IUPAC Name: [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] N-methylcarbamate Traditional Name: N-methylcarbamic acid [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] ester Formula: C12H13F3N4O6 MolecularWeight: 366.25003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N4O6/c1-3-4-17(25-11(20)16-2)10-8(18(21)22)5-7(12(13,14)15)6-9(10)19(23)24/h5-6H,3-4H2,1-2H3,(H,16,20)