[2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C20H13ClN2O7 MolecularWeight: 428.77942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O7/c1-2-7-22-18(24)15-8-11-3-5-13(10-17(11)30-20(15)26)29-19(25)14-9-12(23(27)28)4-6-16(14)21/h2-6,8-10H,1,7H2,(H,22,24)