(3E)-1-(3-methylbutyl)-3-[7-nitro-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]quinoline-2,4-dione

Systemtic Name: (3E)-1-(3-methylbutyl)-3-[7-nitro-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]quinoline-2,4-dione Openeye Name: (3E)-1-isopentyl-3-(7-nitro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)quinoline-2,4-dione CAS Name: (3E)-1-(3-methylbutyl)-3-(7-nitro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)quinoline-2,4-dione IUPAC Name: (3E)-1-(3-methylbutyl)-3-(7-nitro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)quinoline-2,4-dione Traditional Name: (3E)-3-(1,1-diketo-7-nitro-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1-isoamyl-quinoline-2,4-quinone Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C3NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N3)C1=O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=O)/C(=C\3/NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N3)/C1=O

InChI

InChI=1S/C21H20N4O6S/c1-12(2)9-10-24-16-6-4-3-5-14(16)19(26)18(21(24)27)20-22-15-8-7-13(25(28)29)11-17(15)32(30,31)23-20/h3-8,11-12,22-23H,9-10H2,1-2H3/b20-18+