(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7/c1-28-15-5-6-16-13(9-20(24)30-19(16)10-15)11-29-21(25)12-2-7-17(22-14-3-4-14)18(8-12)23(26)27/h2,5-10,14,22H,3-4,11H2,1H3