N-(4-acetamidophenyl)-4-[(2,4,6-trinitrophenyl)amino]benzamide

Systemtic Name: N-(4-acetamidophenyl)-4-[(2,4,6-trinitrophenyl)amino]benzamide Openeye Name: N-(4-acetamidophenyl)-4-(2,4,6-trinitroanilino)benzamide CAS Name: N-(4-acetamidophenyl)-4-(2,4,6-trinitroanilino)benzamide IUPAC Name: N-(4-acetamidophenyl)-4-(2,4,6-trinitroanilino)benzamide Traditional Name: N-(4-acetamidophenyl)-4-(2,4,6-trinitroanilino)benzamide Formula: C21H16N6O8 MolecularWeight: 480.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O8/c1-12(28)22-14-6-8-16(9-7-14)24-21(29)13-2-4-15(5-3-13)23-20-18(26(32)33)10-17(25(30)31)11-19(20)27(34)35/h2-11,23H,1H3,(H,22,28)(H,24,29)