N-methyl-4-nitro-N-[(5-nitro-1-benzofuran-2-yl)methyl]aniline

Systemtic Name: N-methyl-4-nitro-N-[(5-nitro-1-benzofuran-2-yl)methyl]aniline Openeye Name: N-methyl-4-nitro-N-[(5-nitrobenzofuran-2-yl)methyl]aniline CAS Name: N-methyl-4-nitro-N-[(5-nitro-2-benzofuranyl)methyl]aniline IUPAC Name: N-methyl-4-nitro-N-[(5-nitro-1-benzofuran-2-yl)methyl]aniline Traditional Name: methyl-[(5-nitrobenzofuran-2-yl)methyl]-(4-nitrophenyl)amine Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-17(12-2-4-13(5-3-12)18(20)21)10-15-9-11-8-14(19(22)23)6-7-16(11)24-15/h2-9H,10H2,1H3