4-[[(4-methoxyphenyl)-(phenylmethyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(4-methoxyphenyl)-(phenylmethyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[(N-benzyl-4-methoxy-anilino)methyl]-3-nitro-benzamide CAS Name: 4-[(4-methoxy-N-(phenylmethyl)anilino)methyl]-3-nitrobenzamide IUPAC Name: 4-[(N-benzyl-4-methoxyanilino)methyl]-3-nitrobenzamide Traditional Name: 4-[(N-benzyl-4-methoxy-anilino)methyl]-3-nitro-benzamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-29-20-11-9-19(10-12-20)24(14-16-5-3-2-4-6-16)15-18-8-7-17(22(23)26)13-21(18)25(27)28/h2-13H,14-15H2,1H3,(H2,23,26)