dimethyl 2-(tert-butylamino)-5-(6-nitro-4-oxidanylidene-chromen-3-yl)furan-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(tert-butylamino)-5-(6-nitro-4-oxidanylidene-chromen-3-yl)furan-3,4-dicarboxylate Openeye Name: dimethyl 2-(tert-butylamino)-5-(6-nitro-4-oxo-chromen-3-yl)furan-3,4-dicarboxylate CAS Name: 2-(tert-butylamino)-5-(6-nitro-4-oxo-1-benzopyran-3-yl)furan-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(tert-butylamino)-5-(6-nitro-4-oxochromen-3-yl)furan-3,4-dicarboxylate Traditional Name: 2-(tert-butylamino)-5-(4-keto-6-nitro-chromen-3-yl)furan-3,4-dicarboxylic acid dimethyl ester Formula: C21H20N2O9 MolecularWeight: 444.3915

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=C(O1)C2=COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)NC1=C(C(=C(O1)C2=COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H20N2O9/c1-21(2,3)22-18-15(20(26)30-5)14(19(25)29-4)17(32-18)12-9-31-13-7-6-10(23(27)28)8-11(13)16(12)24/h6-9,22H,1-5H3