N-(4-methoxyphenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide Openeye Name: 2-(benzylamino)-N-(4-methoxyphenyl)-3,5-dinitro-benzamide CAS Name: N-(4-methoxyphenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: 2-(benzylamino)-N-(4-methoxyphenyl)-3,5-dinitrobenzamide Traditional Name: 2-(benzylamino)-N-(4-methoxyphenyl)-3,5-dinitro-benzamide Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2NCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2NCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6/c1-31-17-9-7-15(8-10-17)23-21(26)18-11-16(24(27)28)12-19(25(29)30)20(18)22-13-14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,23,26)