2-[(5-nitro-2-oxidanyl-phenyl)amino]thiochromen-4-one

Systemtic Name: 2-[(5-nitro-2-oxidanyl-phenyl)amino]thiochromen-4-one Openeye Name: 2-(2-hydroxy-5-nitro-anilino)thiochromen-4-one CAS Name: 2-(2-hydroxy-5-nitroanilino)-1-benzothiopyran-4-one IUPAC Name: 2-(2-hydroxy-5-nitroanilino)thiochromen-4-one Traditional Name: 2-(2-hydroxy-5-nitro-anilino)thiochromen-4-one Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(S2)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(S2)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H10N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-15-8-13(19)10-3-1-2-4-14(10)22-15/h1-8,16,18H