N-heptan-2-yl-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-heptan-2-yl-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: 4-(2-methoxyethylamino)-N-(1-methylhexyl)-3-nitro-benzamide CAS Name: N-heptan-2-yl-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-heptan-2-yl-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: 4-(2-methoxyethylamino)-N-(1-methylhexyl)-3-nitro-benzamide Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4/c1-4-5-6-7-13(2)19-17(21)14-8-9-15(18-10-11-24-3)16(12-14)20(22)23/h8-9,12-13,18H,4-7,10-11H2,1-3H3,(H,19,21)