(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7/c1-14(26)24-16-8-9-17-15(11-22(28)32-20(17)12-16)13-31-21(27)7-4-10-23-18-5-2-3-6-19(18)25(29)30/h2-3,5-6,8-9,11-12,23H,4,7,10,13H2,1H3,(H,24,26)