[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C22H21N3O8 MolecularWeight: 455.41744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O8/c1-4-31-22(28)23-14-5-7-16-13(9-20(26)33-19(16)10-14)12-32-21(27)17-11-15(25(29)30)6-8-18(17)24(2)3/h5-11H,4,12H2,1-3H3,(H,23,28)