N-(2-methoxy-4-nitro-phenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide Openeye Name: 2-(benzylamino)-N-(2-methoxy-4-nitro-phenyl)-3,5-dinitro-benzamide CAS Name: N-(2-methoxy-4-nitrophenyl)-3,5-dinitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: 2-(benzylamino)-N-(2-methoxy-4-nitrophenyl)-3,5-dinitrobenzamide Traditional Name: 2-(benzylamino)-N-(2-methoxy-4-nitro-phenyl)-3,5-dinitro-benzamide Formula: C21H17N5O8 MolecularWeight: 467.38838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O8/c1-34-19-11-14(24(28)29)7-8-17(19)23-21(27)16-9-15(25(30)31)10-18(26(32)33)20(16)22-12-13-5-3-2-4-6-13/h2-11,22H,12H2,1H3,(H,23,27)