[3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C21H18N2O7/c1-2-3-10-22-19(24)17-11-14-6-9-16(12-18(14)30-21(17)26)29-20(25)13-4-7-15(8-5-13)23(27)28/h4-9,11-12H,2-3,10H2,1H3,(H,22,24)