3,6-dinitro-4-[(4-phenylsulfanylphenyl)amino]chromen-2-one

Systemtic Name: 3,6-dinitro-4-[(4-phenylsulfanylphenyl)amino]chromen-2-one Openeye Name: 3,6-dinitro-4-(4-phenylsulfanylanilino)chromen-2-one CAS Name: 3,6-dinitro-4-[4-(phenylthio)anilino]-1-benzopyran-2-one IUPAC Name: 3,6-dinitro-4-(4-phenylsulfanylanilino)chromen-2-one Traditional Name: 3,6-dinitro-4-[4-(phenylthio)anilino]coumarin Formula: C21H13N3O6S MolecularWeight: 435.40942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=C(C(=O)OC4=C3C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=C(C(=O)OC4=C3C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O6S/c25-21-20(24(28)29)19(17-12-14(23(26)27)8-11-18(17)30-21)22-13-6-9-16(10-7-13)31-15-4-2-1-3-5-15/h1-12,22H