4-[(4-azanyl-3-nitro-phenyl)methyl]-2-nitro-aniline

Systemtic Name: 4-[(4-azanyl-3-nitro-phenyl)methyl]-2-nitro-aniline Openeye Name: 4-[(4-amino-3-nitro-phenyl)methyl]-2-nitro-aniline CAS Name: 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline IUPAC Name: 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline Traditional Name: [4-(4-amino-3-nitro-benzyl)-2-nitro-phenyl]amine Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C13H12N4O4/c14-10-3-1-8(6-12(10)16(18)19)5-9-2-4-11(15)13(7-9)17(20)21/h1-4,6-7H,5,14-15H2