3-methyl-2,6-dinitro-4-propan-2-yl-N-propyl-aniline

Systemtic Name: 3-methyl-2,6-dinitro-4-propan-2-yl-N-propyl-aniline Openeye Name: 4-isopropyl-3-methyl-2,6-dinitro-N-propyl-aniline CAS Name: 3-methyl-2,6-dinitro-4-propan-2-yl-N-propylaniline IUPAC Name: 3-methyl-2,6-dinitro-4-propan-2-yl-N-propylaniline Traditional Name: (4-isopropyl-3-methyl-2,6-dinitro-phenyl)-propyl-amine Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C(=C1[N+](=O)[O-])C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C(=C1[N+](=O)[O-])C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-5-6-14-12-11(15(17)18)7-10(8(2)3)9(4)13(12)16(19)20/h7-8,14H,5-6H2,1-4H3