2-[4-(2-azanyl-3-nitro-phenoxy)butoxy]-6-nitro-aniline

Systemtic Name: 2-[4-(2-azanyl-3-nitro-phenoxy)butoxy]-6-nitro-aniline Openeye Name: 2-[4-(2-amino-3-nitro-phenoxy)butoxy]-6-nitro-aniline CAS Name: 2-[4-(2-amino-3-nitrophenoxy)butoxy]-6-nitroaniline IUPAC Name: 2-[4-(2-amino-3-nitrophenoxy)butoxy]-6-nitroaniline Traditional Name: [2-[4-(2-amino-3-nitro-phenoxy)butoxy]-6-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(=C2N)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)OCCCCOC2=CC=CC(=C2N)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

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