3-[5-[(5-chloranyl-2-methoxy-phenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one

Systemtic Name: 3-[5-[(5-chloranyl-2-methoxy-phenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one Openeye Name: 3-[5-(5-chloro-2-methoxy-anilino)-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one CAS Name: 3-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-6-nitrochromen-2-one Traditional Name: 3-[5-(5-chloro-2-methoxy-anilino)-1,3,4-thiadiazol-2-yl]-6-nitro-coumarin Formula: C18H11ClN4O5S MolecularWeight: 430.82174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H11ClN4O5S/c1-27-15-4-2-10(19)8-13(15)20-18-22-21-16(29-18)12-7-9-6-11(23(25)26)3-5-14(9)28-17(12)24/h2-8H,1H3,(H,20,22)