3-nitro-N,N-bis(phenylmethyl)benzamide; 4-nitro-N,N-bis(phenylmethyl)benzamide

Systemtic Name: 3-nitro-N,N-bis(phenylmethyl)benzamide; 4-nitro-N,N-bis(phenylmethyl)benzamide Openeye Name: N,N-dibenzyl-3-nitro-benzamide; N,N-dibenzyl-4-nitro-benzamide CAS Name: 3-nitro-N,N-bis(phenylmethyl)benzamide; 4-nitro-N,N-bis(phenylmethyl)benzamide IUPAC Name: N,N-dibenzyl-3-nitrobenzamide; N,N-dibenzyl-4-nitrobenzamide Traditional Name: N,N-dibenzyl-3-nitro-benzamide; N,N-dibenzyl-4-nitro-benzamide Formula: C42H36N4O6 MolecularWeight: 692.75844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/2C21H18N2O3/c24-21(19-12-7-13-20(14-19)23(25)26)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18;24-21(19-11-13-20(14-12-19)23(25)26)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h2*1-14H,15-16H2