N-[1-[(4-butoxy-3-methoxy-phenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[(4-butoxy-3-methoxy-phenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[2-[(4-butoxy-3-methoxy-phenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[1-[(4-butoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[(4-butoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-[(4-butoxy-3-methoxy-benzyl)amino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C(C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C(C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O6/c1-4-5-11-31-19-10-9-16(12-20(19)30-3)14-23-21(26)15(2)24-22(27)17-7-6-8-18(13-17)25(28)29/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,23,26)(H,24,27)