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

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H17ClN2O7 MolecularWeight: 444.82188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O7/c1-11(2)10-23-19(25)15-7-12-3-5-14(9-18(12)31-21(15)27)30-20(26)13-4-6-16(22)17(8-13)24(28)29/h3-9,11H,10H2,1-2H3,(H,23,25)