3-methyl-2,4,6-trinitro-N-(phenylmethyl)aniline

Systemtic Name: 3-methyl-2,4,6-trinitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-3-methyl-2,4,6-trinitro-aniline CAS Name: 3-methyl-2,4,6-trinitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-3-methyl-2,4,6-trinitroaniline Traditional Name: benzyl-(3-methyl-2,4,6-trinitro-phenyl)amine Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O6/c1-9-11(16(19)20)7-12(17(21)22)13(14(9)18(23)24)15-8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3