2-[(E)-(4-nitrophenyl)methylideneamino]-1,2-benzothiazol-3-one

Systemtic Name: 2-[(E)-(4-nitrophenyl)methylideneamino]-1,2-benzothiazol-3-one Openeye Name: 2-[(E)-(4-nitrophenyl)methyleneamino]-1,2-benzothiazol-3-one CAS Name: 2-[(E)-(4-nitrophenyl)methylideneamino]-1,2-benzothiazol-3-one IUPAC Name: 2-[(E)-(4-nitrophenyl)methylideneamino]-1,2-benzothiazol-3-one Traditional Name: 2-[(E)-(4-nitrobenzylidene)amino]-1,2-benzothiazol-3-one Formula: C14H9N3O3S MolecularWeight: 299.30456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2)N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O3S/c18-14-12-3-1-2-4-13(12)21-16(14)15-9-10-5-7-11(8-6-10)17(19)20/h1-9H/b15-9+