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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-28-15-8-9-16-14(11-21(25)30-19(16)12-15)13-29-20(24)7-4-10-22-17-5-2-3-6-18(17)23(26)27/h2-3,5-6,8-9,11-12,22H,4,7,10,13H2,1H3