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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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