4-[1-(3-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-6-nitro-2-oxidanylidene-chromene-3-carbothioamide

Systemtic Name: 4-[1-(3-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-6-nitro-2-oxidanylidene-chromene-3-carbothioamide Openeye Name: 4-[1-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-6-nitro-2-oxo-chromene-3-carbothioamide CAS Name: 4-[1-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-6-nitro-2-oxo-1-benzopyran-3-carbothioamide IUPAC Name: 4-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-6-nitro-2-oxochromene-3-carbothioamide Traditional Name: 4-[2,5-diketo-1-(3-methoxyphenyl)pyrrolidin-3-yl]-2-keto-6-nitro-chromene-3-carbothioamide Formula: C21H15N3O7S MolecularWeight: 453.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)CC(C2=O)C3=C(C(=O)OC4=C3C=C(C=C4)[N+](=O)[O-])C(=S)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)CC(C2=O)C3=C(C(=O)OC4=C3C=C(C=C4)[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C21H15N3O7S/c1-30-12-4-2-3-10(7-12)23-16(25)9-14(20(23)26)17-13-8-11(24(28)29)5-6-15(13)31-21(27)18(17)19(22)32/h2-8,14H,9H2,1H3,(H2,22,32)