N-[3-(3-methylbutoxy)phenyl]-2,4-dinitro-aniline

Systemtic Name: N-[3-(3-methylbutoxy)phenyl]-2,4-dinitro-aniline Openeye Name: N-(3-isopentyloxyphenyl)-2,4-dinitro-aniline CAS Name: N-[3-(3-methylbutoxy)phenyl]-2,4-dinitroaniline IUPAC Name: N-[3-(3-methylbutoxy)phenyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(3-isoamoxyphenyl)amine Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c1-12(2)8-9-25-15-5-3-4-13(10-15)18-16-7-6-14(19(21)22)11-17(16)20(23)24/h3-7,10-12,18H,8-9H2,1-2H3