[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C22H20ClNO5/c1-2-3-4-14-5-8-16(9-6-14)24-21(26)13-28-22(27)20-12-18(25)17-11-15(23)7-10-19(17)29-20/h5-12H,2-4,13H2,1H3,(H,24,26)