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

Systemtic Name: 4-methyl-3-nitro-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-methyl-3-nitro-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-methyl-3-nitro-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-methyl-3-nitro-N-[(3-nitrophenyl)methyl]aniline Traditional Name: (4-methyl-3-nitro-phenyl)-(3-nitrobenzyl)amine Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-10-5-6-12(8-14(10)17(20)21)15-9-11-3-2-4-13(7-11)16(18)19/h2-8,15H,9H2,1H3