N-(2-methyl-5-nitro-phenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide Openeye Name: 2-(benzylamino)-N-(2-methyl-5-nitro-phenyl)-3,5-dinitro-benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: 2-(benzylamino)-N-(2-methyl-5-nitrophenyl)-3,5-dinitrobenzamide Traditional Name: 2-(benzylamino)-N-(2-methyl-5-nitro-phenyl)-3,5-dinitro-benzamide Formula: C21H17N5O7 MolecularWeight: 451.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC(=C2NCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC(=C2NCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O7/c1-13-7-8-15(24(28)29)10-18(13)23-21(27)17-9-16(25(30)31)11-19(26(32)33)20(17)22-12-14-5-3-2-4-6-14/h2-11,22H,12H2,1H3,(H,23,27)