2-nitro-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 2-nitro-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 2-nitro-N-[(3-nitrophenyl)methyl]aniline CAS Name: 2-nitro-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 2-nitro-N-[(3-nitrophenyl)methyl]aniline Traditional Name: (3-nitrobenzyl)-(2-nitrophenyl)amine Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4/c17-15(18)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13(12)16(19)20/h1-8,14H,9H2