phenanthridin-6-ylmethyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: phenanthridin-6-ylmethyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: phenanthridin-6-ylmethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionic acid phenanthridin-6-ylmethyl ester Formula: C24H17ClN2O4 MolecularWeight: 432.85578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C24H17ClN2O4/c25-15-9-10-21-22(13-15)31-24(29)27(21)12-11-23(28)30-14-20-18-7-2-1-5-16(18)17-6-3-4-8-19(17)26-20/h1-10,13H,11-12,14H2