[3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(3-methoxypropylcarbamoyl)-2-oxo-chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-[(3-methoxypropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-3-(3-methoxypropylcarbamoyl)chromen-7-yl] ester Formula: C21H17ClN2O8 MolecularWeight: 460.82128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O8/c1-30-8-2-7-23-19(25)15-9-12-3-5-14(11-18(12)32-21(15)27)31-20(26)13-4-6-16(22)17(10-13)24(28)29/h3-6,9-11H,2,7-8H2,1H3,(H,23,25)