N-[(4-butoxy-3-methoxy-phenyl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-2,4-dinitro-aniline Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-2,4-dinitro-aniline CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dinitroaniline IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dinitroaniline Traditional Name: (4-butoxy-3-methoxy-benzyl)-(2,4-dinitrophenyl)amine Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O6/c1-3-4-9-27-17-8-5-13(10-18(17)26-2)12-19-15-7-6-14(20(22)23)11-16(15)21(24)25/h5-8,10-11,19H,3-4,9,12H2,1-2H3