[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C23H21N3O8 MolecularWeight: 467.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O8/c1-2-32-23(29)25-16-6-7-17-14(10-21(27)34-20(17)11-16)12-33-22(28)13-3-8-18(24-15-4-5-15)19(9-13)26(30)31/h3,6-11,15,24H,2,4-5,12H2,1H3,(H,25,29)