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

Systemtic Name: [2-oxidanylidene-3-(propylcarbamoyl)chromen-7-yl] 4-nitrobenzoate Openeye Name: [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-3-[oxo(propylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-3-(propylcarbamoyl)chromen-7-yl] ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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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-])OC1=O

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O7/c1-2-9-21-18(23)16-10-13-5-8-15(11-17(13)29-20(16)25)28-19(24)12-3-6-14(7-4-12)22(26)27/h3-8,10-11H,2,9H2,1H3,(H,21,23)