N-(2-azanylethyl)-4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxidanylidene-butanamide

Systemtic Name: N-(2-azanylethyl)-4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxidanylidene-butanamide Openeye Name: N-(2-aminoethyl)-4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxo-butanamide CAS Name: N-(2-aminoethyl)-4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanamide IUPAC Name: N-(2-aminoethyl)-4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanamide Traditional Name: N-(2-aminoethyl)-4-[3,5-dimethyl-4-(4-nitrobenzyl)oxy-phenyl]-4-keto-butyramide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)CCC(=O)NCCN

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)CCC(=O)NCCN

InChI

InChI=1S/C21H25N3O5/c1-14-11-17(19(25)7-8-20(26)23-10-9-22)12-15(2)21(14)29-13-16-3-5-18(6-4-16)24(27)28/h3-6,11-12H,7-10,13,22H2,1-2H3,(H,23,26)