3-nitro-4-(2-phenylazanylethylsulfanyl)chromen-2-one

Systemtic Name: 3-nitro-4-(2-phenylazanylethylsulfanyl)chromen-2-one Openeye Name: 4-(2-anilinoethylsulfanyl)-3-nitro-chromen-2-one CAS Name: 4-(2-anilinoethylthio)-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(2-anilinoethylsulfanyl)-3-nitrochromen-2-one Traditional Name: 4-(2-anilinoethylthio)-3-nitro-coumarin Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCSC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCCSC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c20-17-15(19(21)22)16(13-8-4-5-9-14(13)23-17)24-11-10-18-12-6-2-1-3-7-12/h1-9,18H,10-11H2