5-[4-(3-azanyl-4-nitro-phenoxy)butoxy]-2-nitro-aniline

Systemtic Name: 5-[4-(3-azanyl-4-nitro-phenoxy)butoxy]-2-nitro-aniline Openeye Name: 5-[4-(3-amino-4-nitro-phenoxy)butoxy]-2-nitro-aniline CAS Name: 5-[4-(3-amino-4-nitrophenoxy)butoxy]-2-nitroaniline IUPAC Name: 5-[4-(3-amino-4-nitrophenoxy)butoxy]-2-nitroaniline Traditional Name: [5-[4-(3-amino-4-nitro-phenoxy)butoxy]-2-nitro-phenyl]amine Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCCOC2=CC(=C(C=C2)[N+](=O)[O-])N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCCOC2=CC(=C(C=C2)[N+](=O)[O-])N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6/c17-13-9-11(3-5-15(13)19(21)22)25-7-1-2-8-26-12-4-6-16(20(23)24)14(18)10-12/h3-6,9-10H,1-2,7-8,17-18H2