(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-nitrobenzoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-nitrobenzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S/c22-17(12-4-3-5-13(10-12)21(23)24)25-14-6-7-15-16(11-14)26-18(19-15)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2