N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3,5-dinitro-benzamide Formula: C16H13BrN4O6 MolecularWeight: 437.20162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN4O6/c1-9-4-11(17)2-3-14(9)19-15(22)8-18-16(23)10-5-12(20(24)25)7-13(6-10)21(26)27/h2-7H,8H2,1H3,(H,18,23)(H,19,22)