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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)OCCCCOC2=C(C=CC(=C2)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)OCCCCOC2=C(C=CC(=C2)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

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