N-(2-methoxy-5-methyl-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(2-methoxy-5-methylphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(2-methoxy-5-methylphenyl)-2,4,6-trinitroaniline Traditional Name: (2-methoxy-5-methyl-phenyl)-picryl-amine Formula: C14H12N4O7 MolecularWeight: 348.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O7/c1-8-3-4-13(25-2)10(5-8)15-14-11(17(21)22)6-9(16(19)20)7-12(14)18(23)24/h3-7,15H,1-2H3