4-[4-(1-azanyloxyethyl)-2-methoxy-5-nitro-phenoxy]-N-[bis(4-methylphenyl)methyl]butanamide

Systemtic Name: 4-[4-(1-azanyloxyethyl)-2-methoxy-5-nitro-phenoxy]-N-[bis(4-methylphenyl)methyl]butanamide Openeye Name: 4-[4-(1-aminooxyethyl)-2-methoxy-5-nitro-phenoxy]-N-(bis-p-tolylmethyl)butanamide CAS Name: 4-[4-(1-aminooxyethyl)-2-methoxy-5-nitrophenoxy]-N-[bis(4-methylphenyl)methyl]butanamide IUPAC Name: 4-[4-(1-aminooxyethyl)-2-methoxy-5-nitrophenoxy]-N-[bis(4-methylphenyl)methyl]butanamide Traditional Name: 4-[4-(1-aminooxyethyl)-2-methoxy-5-nitro-phenoxy]-N-(bis-p-tolylmethyl)butyramide Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)NC(=O)CCCOC3=C(C=C(C(=C3)[N+](=O)[O-])C(C)ON)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)NC(=O)CCCOC3=C(C=C(C(=C3)[N+](=O)[O-])C(C)ON)OC

InChI

InChI=1S/C28H33N3O6/c1-18-7-11-21(12-8-18)28(22-13-9-19(2)10-14-22)30-27(32)6-5-15-36-26-17-24(31(33)34)23(20(3)37-29)16-25(26)35-4/h7-14,16-17,20,28H,5-6,15,29H2,1-4H3,(H,30,32)