2-(4-ethoxy-3-methoxy-phenyl)ethanamine; 3-methyl-2,4,6-trinitro-phenol

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)ethanamine; 3-methyl-2,4,6-trinitro-phenol Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)ethanamine; 3-methyl-2,4,6-trinitro-phenol CAS Name: 2-(4-ethoxy-3-methoxyphenyl)ethanamine; 3-methyl-2,4,6-trinitrophenol IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)ethanamine; 3-methyl-2,4,6-trinitrophenol Traditional Name: 2-(4-ethoxy-3-methoxy-phenyl)ethylamine; 3-methyl-2,4,6-trinitro-phenol Formula: C18H22N4O9 MolecularWeight: 438.38868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN)OC.CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN)OC.CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C11H17NO2.C7H5N3O7/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2;1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h4-5,8H,3,6-7,12H2,1-2H3;2,11H,1H3