(4-nitrophenyl)methyl 4-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoate Openeye Name: (4-nitrophenyl)methyl 3-(benzylamino)-4-[(2-ethoxy-2-oxo-ethyl)amino]-4-oxo-butanoate CAS Name: 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxo-3-[(phenylmethyl)amino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(benzylamino)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoate Traditional Name: 3-(benzylamino)-4-[(2-ethoxy-2-keto-ethyl)amino]-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C22H25N3O7 MolecularWeight: 443.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=O)C(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O7/c1-2-31-21(27)14-24-22(28)19(23-13-16-6-4-3-5-7-16)12-20(26)32-15-17-8-10-18(11-9-17)25(29)30/h3-11,19,23H,2,12-15H2,1H3,(H,24,28)