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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)NC(=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/c1-3-11(2)23-19(25)15-8-12-4-6-14(10-18(12)31-21(15)27)30-20(26)13-5-7-16(22)17(9-13)24(28)29/h4-11H,3H2,1-2H3,(H,23,25)