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

Systemtic Name: 3-[4-(3-azanyl-2-nitro-phenoxy)butoxy]-2-nitro-aniline Openeye Name: 3-[4-(3-amino-2-nitro-phenoxy)butoxy]-2-nitro-aniline CAS Name: 3-[4-(3-amino-2-nitrophenoxy)butoxy]-2-nitroaniline IUPAC Name: 3-[4-(3-amino-2-nitrophenoxy)butoxy]-2-nitroaniline Traditional Name: [3-[4-(3-amino-2-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(=C1)OCCCCOC2=CC=CC(=C2[N+](=O)[O-])N)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

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