butyl 5-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxidanylidene-prop-1-enyl]amino]-2-chloranyl-benzoate

Systemtic Name: butyl 5-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxidanylidene-prop-1-enyl]amino]-2-chloranyl-benzoate Openeye Name: butyl 5-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxo-prop-1-enyl]amino]-2-chloro-benzoate CAS Name: 5-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-2-chlorobenzoic acid butyl ester IUPAC Name: butyl 5-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-2-chlorobenzoate Traditional Name: 5-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-keto-prop-1-enyl]amino]-2-chloro-benzoic acid butyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)NC=C(C=O)C2=NC3=CC=CC=C3O2)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)N/C=C(\C=O)/C2=NC3=CC=CC=C3O2)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-2-3-10-27-21(26)16-11-15(8-9-17(16)22)23-12-14(13-25)20-24-18-6-4-5-7-19(18)28-20/h4-9,11-13,23H,2-3,10H2,1H3/b14-12+