N-benzo[e][1,3]benzothiazol-2-yl-3-nitro-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-nitro-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-nitro-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-nitrobenzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-nitrobenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-nitro-benzamide Formula: C18H11N3O3S MolecularWeight: 349.36324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O3S/c22-17(12-5-3-6-13(10-12)21(23)24)20-18-19-16-14-7-2-1-4-11(14)8-9-15(16)25-18/h1-10H,(H,19,20,22)