N-(4-butan-2-ylphenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: 2-(2-methoxyethylamino)-5-nitro-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: 2-(2-methoxyethylamino)-5-nitro-N-(4-sec-butylphenyl)benzamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C20H25N3O4/c1-4-14(2)15-5-7-16(8-6-15)22-20(24)18-13-17(23(25)26)9-10-19(18)21-11-12-27-3/h5-10,13-14,21H,4,11-12H2,1-3H3,(H,22,24)