(3E)-6-methyl-3-[2-[(4-nitrophenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]pyran-2,4-dione

Systemtic Name: (3E)-6-methyl-3-[2-[(4-nitrophenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[2-[(4-nitrophenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[2-[(4-nitrophenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[2-[(4-nitrophenyl)methyl]-4H-1,4-benzothiazin-3-ylidene]pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[2-(4-nitrobenzyl)-4H-1,4-benzothiazin-3-ylidene]pyran-2,4-quinone Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C(SC3=CC=CC=C3N2)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/C(SC3=CC=CC=C3N2)CC4=CC=C(C=C4)[N+](=O)[O-])/C(=O)O1

InChI

InChI=1S/C21H16N2O5S/c1-12-10-16(24)19(21(25)28-12)20-18(29-17-5-3-2-4-15(17)22-20)11-13-6-8-14(9-7-13)23(26)27/h2-10,18,22H,11H2,1H3/b20-19+