N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-nitro-benzamide Openeye Name: N-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)-3-nitro-benzamide CAS Name: N-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-3-nitrobenzamide IUPAC Name: N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-nitrobenzamide Traditional Name: N-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)-3-nitro-benzamide Formula: C19H15ClN2O6 MolecularWeight: 402.7852

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O1)Cl

InChI

InChI=1S/C19H15ClN2O6/c1-2-8-27-19-16(20)14-7-6-12(10-15(14)18(24)28-19)21-17(23)11-4-3-5-13(9-11)22(25)26/h3-7,9-10H,2,8H2,1H3,(H,21,23)