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

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-methyl-3-nitro-benzoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C21H18N2O8 MolecularWeight: 426.37622

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O8/c1-3-29-21(26)22-14-7-8-16-13(9-19(24)31-18(16)10-14)11-30-20(25)15-5-4-6-17(12(15)2)23(27)28/h4-10H,3,11H2,1-2H3,(H,22,26)