2-[(4-methoxyphenyl)amino]-7-nitro-1,3-benzothiazin-3-ium-4-one

Systemtic Name: 2-[(4-methoxyphenyl)amino]-7-nitro-1,3-benzothiazin-3-ium-4-one Openeye Name: 2-(4-methoxyanilino)-7-nitro-1,3-benzothiazin-3-ium-4-one CAS Name: 2-(4-methoxyanilino)-7-nitro-1,3-benzothiazin-3-ium-4-one IUPAC Name: 2-(4-methoxyanilino)-7-nitro-1,3-benzothiazin-3-ium-4-one Traditional Name: 7-nitro-2-(p-anisidino)-1,3-benzothiazin-3-ium-4-one Formula: C15H12N3O4S+ MolecularWeight: 330.33848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=[NH+]C(=O)C3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=[NH+]C(=O)C3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S/c1-22-11-5-2-9(3-6-11)16-15-17-14(19)12-7-4-10(18(20)21)8-13(12)23-15/h2-8H,1H3,(H,16,17,19)/p+1