(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H22N2O6/c1-14-9-10-17-16(12-21(26)30-22(17)15(14)2)13-29-20(25)8-5-11-23-18-6-3-4-7-19(18)24(27)28/h3-4,6-7,9-10,12,23H,5,8,11,13H2,1-2H3