N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-aniline

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-aniline Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-aniline CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitroaniline IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitroaniline Traditional Name: 1,3-benzothiazol-2-ylmethyl-(3-nitrophenyl)amine Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-17(19)11-5-3-4-10(8-11)15-9-14-16-12-6-1-2-7-13(12)20-14/h1-8,15H,9H2