1-methylthiourea; 6-nitro-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 1-methylthiourea; 6-nitro-2-oxidanylidene-chromene-3-carboxamide Openeye Name: methylthiourea; 6-nitro-2-oxo-chromene-3-carboxamide CAS Name: methylthiourea; 6-nitro-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: methylthiourea; 6-nitro-2-oxochromene-3-carboxamide Traditional Name: 2-keto-6-nitro-chromene-3-carboxamide; methylthiourea Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N.C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)N

Isomeric SMILES

CNC(=S)N.C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)N

InChI

InChI=1S/C10H6N2O5.C2H6N2S/c11-9(13)7-4-5-3-6(12(15)16)1-2-8(5)17-10(7)14;1-4-2(3)5/h1-4H,(H2,11,13);1H3,(H3,3,4,5)