4-[4-(1-acetamidoethyl)-2-methoxy-5-nitro-phenoxy]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[4-(1-acetamidoethyl)-2-methoxy-5-nitro-phenoxy]-N-(phenylmethyl)butanamide Openeye Name: 4-[4-(1-acetamidoethyl)-2-methoxy-5-nitro-phenoxy]-N-benzyl-butanamide CAS Name: 4-[4-(1-acetamidoethyl)-2-methoxy-5-nitrophenoxy]-N-(phenylmethyl)butanamide IUPAC Name: 4-[4-(1-acetamidoethyl)-2-methoxy-5-nitrophenoxy]-N-benzylbutanamide Traditional Name: 4-[4-(1-acetamidoethyl)-2-methoxy-5-nitro-phenoxy]-N-benzyl-butyramide Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCC2=CC=CC=C2)OC)NC(=O)C

Isomeric SMILES

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCC2=CC=CC=C2)OC)NC(=O)C

InChI

InChI=1S/C22H27N3O6/c1-15(24-16(2)26)18-12-20(30-3)21(13-19(18)25(28)29)31-11-7-10-22(27)23-14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,23,27)(H,24,26)