3-[(3-nitrophenyl)methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[(3-nitrophenyl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(3-nitrophenyl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[(3-nitrophenyl)methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(3-nitrophenyl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-(3-nitrobenzyl)-1,3-benzothiazol-2-one Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O3S/c17-14-15(12-6-1-2-7-13(12)20-14)9-10-4-3-5-11(8-10)16(18)19/h1-8H,9H2