4-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N-(5-nitro-1,3-thiazol-2-yl)butanamide

Systemtic Name: 4-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N-(5-nitro-1,3-thiazol-2-yl)butanamide Openeye Name: 4-[(9,10-dioxo-1-anthryl)amino]-N-(5-nitrothiazol-2-yl)butanamide CAS Name: 4-[(9,10-dioxo-1-anthracenyl)amino]-N-(5-nitro-2-thiazolyl)butanamide IUPAC Name: 4-[(9,10-dioxoanthracen-1-yl)amino]-N-(5-nitro-1,3-thiazol-2-yl)butanamide Traditional Name: 4-[(9,10-diketo-1-anthryl)amino]-N-(5-nitrothiazol-2-yl)butyramide Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCC(=O)NC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCC(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c26-16(24-21-23-11-17(31-21)25(29)30)9-4-10-22-15-8-3-7-14-18(15)20(28)13-6-2-1-5-12(13)19(14)27/h1-3,5-8,11,22H,4,9-10H2,(H,23,24,26)