3,6-dinitro-4-(2-phenylazanylethylsulfanyl)chromen-2-one

Systemtic Name: 3,6-dinitro-4-(2-phenylazanylethylsulfanyl)chromen-2-one Openeye Name: 4-(2-anilinoethylsulfanyl)-3,6-dinitro-chromen-2-one CAS Name: 4-(2-anilinoethylthio)-3,6-dinitro-1-benzopyran-2-one IUPAC Name: 4-(2-anilinoethylsulfanyl)-3,6-dinitrochromen-2-one Traditional Name: 4-(2-anilinoethylthio)-3,6-dinitro-coumarin Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCSC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCCSC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c21-17-15(20(24)25)16(27-9-8-18-11-4-2-1-3-5-11)13-10-12(19(22)23)6-7-14(13)26-17/h1-7,10,18H,8-9H2