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

Systemtic Name: 2-[4-(2-azanyl-4-methoxy-5-nitro-phenoxy)butoxy]-5-methoxy-4-nitro-aniline Openeye Name: 2-[4-(2-amino-4-methoxy-5-nitro-phenoxy)butoxy]-5-methoxy-4-nitro-aniline CAS Name: 2-[4-(2-amino-4-methoxy-5-nitrophenoxy)butoxy]-5-methoxy-4-nitroaniline IUPAC Name: 2-[4-(2-amino-4-methoxy-5-nitrophenoxy)butoxy]-5-methoxy-4-nitroaniline Traditional Name: [2-[4-(2-amino-4-methoxy-5-nitro-phenoxy)butoxy]-5-methoxy-4-nitro-phenyl]amine Formula: C18H22N4O8 MolecularWeight: 422.38928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N)OCCCCOC2=CC(=C(C=C2N)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)N)OCCCCOC2=CC(=C(C=C2N)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O8/c1-27-17-7-11(19)15(9-13(17)21(23)24)29-5-3-4-6-30-16-10-14(22(25)26)18(28-2)8-12(16)20/h7-10H,3-6,19-20H2,1-2H3