1-methyl-2,3-dinitro-4-phenylmethoxy-benzene; 3-methyl-6-phenylmethoxy-benzene-1,2-diamine

Systemtic Name: 1-methyl-2,3-dinitro-4-phenylmethoxy-benzene; 3-methyl-6-phenylmethoxy-benzene-1,2-diamine Openeye Name: 3-benzyloxy-6-methyl-benzene-1,2-diamine; 1-benzyloxy-4-methyl-2,3-dinitro-benzene CAS Name: 1-methyl-2,3-dinitro-4-phenylmethoxybenzene; 3-methyl-6-phenylmethoxybenzene-1,2-diamine IUPAC Name: 1-methyl-2,3-dinitro-4-phenylmethoxybenzene; 3-methyl-6-phenylmethoxybenzene-1,2-diamine Traditional Name: (2-amino-3-benzoxy-6-methyl-phenyl)amine; 1-benzoxy-4-methyl-2,3-dinitro-benzene Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OCC2=CC=CC=C2)N)N.CC1=C(C(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)OCC2=CC=CC=C2)N)N.CC1=C(C(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5.C14H16N2O/c1-10-7-8-12(14(16(19)20)13(10)15(17)18)21-9-11-5-3-2-4-6-11;1-10-7-8-12(14(16)13(10)15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3;2-8H,9,15-16H2,1H3