N-(4-butan-2-ylphenyl)-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: 4-(2-methoxyethylamino)-3-nitro-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: 4-(2-methoxyethylamino)-3-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=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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