3,4-dimethyl-2,6-dinitro-N-pentyl-aniline; phenylcarbamic acid

Systemtic Name: 3,4-dimethyl-2,6-dinitro-N-pentyl-aniline; phenylcarbamic acid Openeye Name: 3,4-dimethyl-2,6-dinitro-N-pentyl-aniline; phenylcarbamic acid CAS Name: 3,4-dimethyl-2,6-dinitro-N-pentylaniline; phenylcarbamic acid IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentylaniline; phenylcarbamic acid Traditional Name: amyl-(3,4-dimethyl-2,6-dinitro-phenyl)amine; phenylcarbamic acid Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].C1=CC=C(C=C1)NC(=O)O

Isomeric SMILES

CCCCCNC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].C1=CC=C(C=C1)NC(=O)O

InChI

InChI=1S/C13H19N3O4.C7H7NO2/c1-4-5-6-7-14-12-11(15(17)18)8-9(2)10(3)13(12)16(19)20;9-7(10)8-6-4-2-1-3-5-6/h8,14H,4-7H2,1-3H3;1-5,8H,(H,9,10)