N-(3-methylphenyl)-4-[(2,4,6-trinitrophenyl)amino]benzamide

Systemtic Name: N-(3-methylphenyl)-4-[(2,4,6-trinitrophenyl)amino]benzamide Openeye Name: N-(m-tolyl)-4-(2,4,6-trinitroanilino)benzamide CAS Name: N-(3-methylphenyl)-4-(2,4,6-trinitroanilino)benzamide IUPAC Name: N-(3-methylphenyl)-4-(2,4,6-trinitroanilino)benzamide Traditional Name: N-(m-tolyl)-4-(2,4,6-trinitroanilino)benzamide Formula: C20H15N5O7 MolecularWeight: 437.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=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

CC1=CC(=CC=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/C20H15N5O7/c1-12-3-2-4-15(9-12)22-20(26)13-5-7-14(8-6-13)21-19-17(24(29)30)10-16(23(27)28)11-18(19)25(31)32/h2-11,21H,1H3,(H,22,26)