N-(4-methyl-2-oxidanyl-phenyl)-2,4,6-trinitro-benzamide

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-2,4,6-trinitro-benzamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-2,4,6-trinitro-benzamide CAS Name: N-(2-hydroxy-4-methylphenyl)-2,4,6-trinitrobenzamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-2,4,6-trinitrobenzamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-2,4,6-trinitro-benzamide Formula: C14H10N4O8 MolecularWeight: 362.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O8/c1-7-2-3-9(12(19)4-7)15-14(20)13-10(17(23)24)5-8(16(21)22)6-11(13)18(25)26/h2-6,19H,1H3,(H,15,20)