3-[[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]amino]-5-nitro-indol-2-one

Systemtic Name: 3-[[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]amino]-5-nitro-indol-2-one Openeye Name: 3-[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]amino]-5-nitro-indol-2-one CAS Name: 3-[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]amino]-5-nitro-2-indolone IUPAC Name: 3-[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]amino]-5-nitroindol-2-one Traditional Name: 3-[[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]amino]-5-nitro-indol-2-one Formula: C19H12N6O4S MolecularWeight: 420.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(=O)C(=C(N1NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H12N6O4S/c20-17-15(19-22-12-3-1-2-4-14(12)30-19)13(26)8-24(17)23-16-10-7-9(25(28)29)5-6-11(10)21-18(16)27/h1-7H,8,20H2,(H,21,23,27)