2-methyl-6-nitro-1-oxidanylidene-4-[(phenylmethyl)amino]-1,2-benzothiazol-3-one

Systemtic Name: 2-methyl-6-nitro-1-oxidanylidene-4-[(phenylmethyl)amino]-1,2-benzothiazol-3-one Openeye Name: 4-(benzylamino)-2-methyl-6-nitro-1-oxo-1,2-benzothiazol-3-one CAS Name: 2-methyl-6-nitro-1-oxo-4-[(phenylmethyl)amino]-1,2-benzothiazol-3-one IUPAC Name: 4-(benzylamino)-2-methyl-6-nitro-1-oxo-1,2-benzothiazol-3-one Traditional Name: 4-(benzylamino)-1-keto-2-methyl-6-nitro-1,2-benzothiazol-3-one Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(S1=O)C=C(C=C2NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(S1=O)C=C(C=C2NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-17-15(19)14-12(16-9-10-5-3-2-4-6-10)7-11(18(20)21)8-13(14)23(17)22/h2-8,16H,9H2,1H3