N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-2-nitro-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-2-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-2-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-2-nitro-benzamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-28-18-11-10-13(21-23-15-7-3-5-9-19(15)29-21)12-16(18)22-20(25)14-6-2-4-8-17(14)24(26)27/h2-12H,1H3,(H,22,25)